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Analogs

53133894
53133894

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Popular Name: 4-chloro-6-propyl-2-(2-pyridylmethyl)pyrimidine 4-chloro-6-propyl-2-(2-pyridylme…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.22 6.89 -7.98 0 3 0 39 247.729 4 ↓
Lo Low (pH 4.5-6) 3.22 7.3 -30.67 1 3 1 40 248.737 4 ↓

Analogs

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Popular Name: 4-tert-butyl-6-chloro-2-(2-pyridylmethyl)pyrimidine 4-tert-butyl-6-chloro-2-(2-pyrid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.87 7.29 -7.81 0 3 0 39 261.756 3 ↓
Lo Low (pH 4.5-6) 3.87 7.7 -30.31 1 3 1 40 262.764 3 ↓

Analogs

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Popular Name: 4-chloro-6-ethyl-2-(2-pyridylmethyl)pyrimidine 4-chloro-6-ethyl-2-(2-pyridylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 6.11 -8.2 0 3 0 39 233.702 3 ↓
Lo Low (pH 4.5-6) 2.72 6.52 -30.73 1 3 1 40 234.71 3 ↓

Analogs

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Popular Name: 4-chloro-6-isopropyl-2-(2-pyridylmethyl)pyrimidine 4-chloro-6-isopropyl-2-(2-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 6.54 -7.94 0 3 0 39 247.729 3 ↓
Lo Low (pH 4.5-6) 3.21 6.94 -30.37 1 3 1 40 248.737 3 ↓

Analogs

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Popular Name: 2-(2-pyridylmethyl)pyrimidine-4-carbaldehyde 2-(2-pyridylmethyl)pyrimidine-4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.94 4 -16.73 0 4 0 56 199.213 3 ↓
Lo Low (pH 4.5-6) 0.94 4.4 -35.98 1 4 1 57 200.221 3 ↓

Analogs

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Popular Name: [2-(2-pyridylmethyl)pyrimidin-4-yl]methanamine [2-(2-pyridylmethyl)pyrimidin-4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.33 2.26 -47.01 3 4 1 66 201.253 3 ↓
Mid Mid (pH 6-8) 0.33 1.85 -10.18 2 4 0 65 200.245 3 ↓
Lo Low (pH 4.5-6) 0.33 2.66 -91.12 4 4 2 68 202.261 3 ↓

Analogs

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Popular Name: N-methyl-1-[2-(2-pyridylmethyl)pyrimidin-4-yl]methanamine N-methyl-1-[2-(2-pyridylmethyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.71 4.13 -45.02 2 4 1 55 215.28 4 ↓
Mid Mid (pH 6-8) 0.71 2.69 -8.26 1 4 0 51 214.272 4 ↓
Lo Low (pH 4.5-6) 0.71 4.54 -85.89 3 4 2 57 216.288 4 ↓

Analogs

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Popular Name: N-[[2-(2-pyridylmethyl)pyrimidin-4-yl]methyl]ethanamine N-[[2-(2-pyridylmethyl)pyrimidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.08 4.99 -44.04 2 4 1 55 229.307 5 ↓
Hi High (pH 8-9.5) 1.08 3.62 -8 1 4 0 51 228.299 5 ↓
Lo Low (pH 4.5-6) 1.08 5.4 -85.7 3 4 2 57 230.315 5 ↓

Analogs

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Popular Name: N-[[2-(2-pyridylmethyl)pyrimidin-4-yl]methyl]propan-1-amine N-[[2-(2-pyridylmethyl)pyrimidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.58 5.74 -44.92 2 4 1 55 243.334 6 ↓
Hi High (pH 8-9.5) 1.58 4.38 -7.87 1 4 0 51 242.326 6 ↓
Lo Low (pH 4.5-6) 1.58 6.15 -87.1 3 4 2 57 244.342 6 ↓

Analogs

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Popular Name: N-[[2-(2-pyridylmethyl)pyrimidin-4-yl]methyl]propan-2-amine N-[[2-(2-pyridylmethyl)pyrimidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.38 5.52 -42.04 2 4 1 55 243.334 5 ↓
Hi High (pH 8-9.5) 1.38 4.31 -7.85 1 4 0 51 242.326 5 ↓
Lo Low (pH 4.5-6) 1.38 5.93 -84.37 3 4 2 57 244.342 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(2-pyridylmethyl)pyrimidin-4-yl]methyl]propan-2-amine 2-methyl-N-[[2-(2-pyridylmethyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 5.95 -40.41 2 4 1 55 257.361 5 ↓
Hi High (pH 8-9.5) 1.89 4.71 -7.66 1 4 0 51 256.353 5 ↓
Lo Low (pH 4.5-6) 1.89 6.35 -82.84 3 4 2 57 258.369 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(2-pyridylmethyl)pyrimidin-4-yl]methyl]propan-1-amine 2-methyl-N-[[2-(2-pyridylmethyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.83 6.44 -44.63 2 4 1 55 257.361 6 ↓
Hi High (pH 8-9.5) 1.83 5.07 -7.75 1 4 0 51 256.353 6 ↓
Lo Low (pH 4.5-6) 1.83 6.84 -87.48 3 4 2 57 258.369 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[[2-(2-pyridylmethyl)pyrimidin-4-yl]methyl]ethanamine 2-methoxy-N-[[2-(2-pyridylmethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.69 2.77 -9.52 1 5 0 60 258.325 7 ↓
Mid Mid (pH 6-8) 0.69 4.12 -45.09 2 5 1 65 259.333 7 ↓
Lo Low (pH 4.5-6) 0.69 4.53 -85.98 3 5 2 66 260.341 7 ↓

Analogs

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Popular Name: 2-(2-pyridylmethyl)pyrimidine-4-carboxylic 2-(2-pyridylmethyl)pyrimidine-4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.72 4.84 -55.11 0 5 -1 79 214.204 3 ↓
Lo Low (pH 4.5-6) 0.72 5.25 -56.84 1 5 0 80 215.212 3 ↓

Analogs

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Popular Name: [2-(2-pyridylmethyl)pyrimidin-4-yl]methanol [2-(2-pyridylmethyl)pyrimidin-4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.48 1.71 -9.63 1 4 0 59 201.229 3 ↓
Lo Low (pH 4.5-6) 0.48 2.12 -31.62 2 4 1 60 202.237 3 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-(2-pyridylmethyl)pyrimidine 4-(chloromethyl)-2-(2-pyridylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.72 5.48 -9.66 0 3 0 39 219.675 3 ↓
Lo Low (pH 4.5-6) 1.72 5.89 -30.8 1 3 1 40 220.683 3 ↓

Analogs

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Popular Name: [6-methyl-2-(2-pyridylmethyl)pyrimidin-4-yl]methanol [6-methyl-2-(2-pyridylmethyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.92 2.32 -9.98 1 4 0 59 215.256 3 ↓
Lo Low (pH 4.5-6) 0.92 2.73 -31.58 2 4 1 60 216.264 3 ↓

Analogs

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Popular Name: 6-methyl-2-(2-pyridylmethyl)pyrimidine-4-carbaldehyde 6-methyl-2-(2-pyridylmethyl)pyri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.38 4.61 -16.44 0 4 0 56 213.24 3 ↓
Lo Low (pH 4.5-6) 1.38 5.02 -35.18 1 4 1 57 214.248 3 ↓

Analogs

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Popular Name: [6-methyl-2-(2-pyridylmethyl)pyrimidin-4-yl]methanamine [6-methyl-2-(2-pyridylmethyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.77 2.86 -47.04 3 4 1 66 215.28 3 ↓
Mid Mid (pH 6-8) 0.77 2.46 -8.7 2 4 0 65 214.272 3 ↓
Lo Low (pH 4.5-6) 0.77 3.27 -91.15 4 4 2 68 216.288 3 ↓

Analogs

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Popular Name: N-methyl-1-[6-methyl-2-(2-pyridylmethyl)pyrimidin-4-yl]methanamine N-methyl-1-[6-methyl-2-(2-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.15 4.73 -41.66 2 4 1 55 229.307 4 ↓
Mid Mid (pH 6-8) 1.15 3.29 -9.81 1 4 0 51 228.299 4 ↓
Lo Low (pH 4.5-6) 1.15 5.14 -85.7 3 4 2 57 230.315 4 ↓

Analogs

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Popular Name: N-[[6-methyl-2-(2-pyridylmethyl)pyrimidin-4-yl]methyl]ethanamine N-[[6-methyl-2-(2-pyridylmethyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 5.59 -44.16 2 4 1 55 243.334 5 ↓
Hi High (pH 8-9.5) 1.52 4.22 -8.22 1 4 0 51 242.326 5 ↓
Lo Low (pH 4.5-6) 1.52 6 -85.73 3 4 2 57 244.342 5 ↓

Analogs

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Popular Name: N-[[6-methyl-2-(2-pyridylmethyl)pyrimidin-4-yl]methyl]propan-1-amine N-[[6-methyl-2-(2-pyridylmethyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.02 6.35 -45.01 2 4 1 55 257.361 6 ↓
Hi High (pH 8-9.5) 2.02 4.99 -8.08 1 4 0 51 256.353 6 ↓
Lo Low (pH 4.5-6) 2.02 6.75 -87.06 3 4 2 57 258.369 6 ↓

Analogs

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Popular Name: N-[[6-methyl-2-(2-pyridylmethyl)pyrimidin-4-yl]methyl]propan-2-amine N-[[6-methyl-2-(2-pyridylmethyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 6.13 -38.62 2 4 1 55 257.361 5 ↓
Hi High (pH 8-9.5) 1.82 4.92 -9.25 1 4 0 51 256.353 5 ↓
Lo Low (pH 4.5-6) 1.82 6.53 -83.89 3 4 2 57 258.369 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[6-methyl-2-(2-pyridylmethyl)pyrimidin-4-yl]methyl]propan-2-amine 2-methyl-N-[[6-methyl-2-(2-pyrid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.33 6.54 -37.01 2 4 1 55 271.388 5 ↓
Hi High (pH 8-9.5) 2.33 5.31 -9.16 1 4 0 51 270.38 5 ↓
Lo Low (pH 4.5-6) 2.33 6.95 -82.41 3 4 2 57 272.396 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[6-methyl-2-(2-pyridylmethyl)pyrimidin-4-yl]methyl]propan-1-amine 2-methyl-N-[[6-methyl-2-(2-pyrid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 7.04 -41.43 2 4 1 55 271.388 6 ↓
Hi High (pH 8-9.5) 2.27 5.67 -9.27 1 4 0 51 270.38 6 ↓
Lo Low (pH 4.5-6) 2.27 7.44 -86.84 3 4 2 57 272.396 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[[6-methyl-2-(2-pyridylmethyl)pyrimidin-4-yl]methyl]ethanamine 2-methoxy-N-[[6-methyl-2-(2-pyri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.13 4.73 -42.06 2 5 1 65 273.36 7 ↓
Mid Mid (pH 6-8) 1.13 3.31 -12.07 1 5 0 60 272.352 7 ↓
Lo Low (pH 4.5-6) 1.13 5.13 -84.9 3 5 2 66 274.368 7 ↓

Analogs

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Popular Name: 6-methyl-2-(2-pyridylmethyl)pyrimidine-4-carboxylic 6-methyl-2-(2-pyridylmethyl)pyri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.16 5.46 -56.1 0 5 -1 79 228.231 3 ↓
Lo Low (pH 4.5-6) 1.16 5.86 -57.03 1 5 0 80 229.239 3 ↓

Analogs

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Popular Name: 4-(chloromethyl)-6-methyl-2-(2-pyridylmethyl)pyrimidine 4-(chloromethyl)-6-methyl-2-(2-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 6.08 -9.75 0 3 0 39 233.702 3 ↓
Lo Low (pH 4.5-6) 2.16 6.49 -30.47 1 3 1 40 234.71 3 ↓

Analogs

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Popular Name: 2-[2-(2-pyridylmethyl)pyrimidin-4-yl]ethanamine 2-[2-(2-pyridylmethyl)pyrimidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.13 3.07 -48.13 3 4 1 66 215.28 4 ↓
Lo Low (pH 4.5-6) 0.13 3.48 -89.73 4 4 2 68 216.288 4 ↓

Analogs

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Popular Name: 2-[6-methyl-2-(2-pyridylmethyl)pyrimidin-4-yl]ethanamine 2-[6-methyl-2-(2-pyridylmethyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.57 3.67 -48.31 3 4 1 66 229.307 4 ↓
Lo Low (pH 4.5-6) 0.57 4.08 -89.93 4 4 2 68 230.315 4 ↓

Analogs

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Popular Name: (2S)-1-[2-(2-pyridylmethyl)pyrimidin-4-yl]propan-2-amine (2S)-1-[2-(2-pyridylmethyl)pyrim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.53 4.43 -42.81 3 4 1 66 229.307 4 ↓
Lo Low (pH 4.5-6) 0.53 4.84 -91.07 4 4 2 68 230.315 4 ↓

Analogs

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Popular Name: (2R)-1-[2-(2-pyridylmethyl)pyrimidin-4-yl]propan-2-amine (2R)-1-[2-(2-pyridylmethyl)pyrim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.53 3.71 -45.5 3 4 1 66 229.307 4 ↓
Lo Low (pH 4.5-6) 0.53 4.12 -85.7 4 4 2 68 230.315 4 ↓

Analogs

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Popular Name: (2S)-1-[2-(2-pyridylmethyl)pyrimidin-4-yl]butan-2-amine (2S)-1-[2-(2-pyridylmethyl)pyrim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.07 5.24 -42.65 3 4 1 66 243.334 5 ↓
Lo Low (pH 4.5-6) 1.07 5.65 -91.68 4 4 2 68 244.342 5 ↓

Analogs

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Popular Name: (2R)-1-[2-(2-pyridylmethyl)pyrimidin-4-yl]butan-2-amine (2R)-1-[2-(2-pyridylmethyl)pyrim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.07 4.52 -45.5 3 4 1 66 243.334 5 ↓
Lo Low (pH 4.5-6) 1.07 4.93 -86 4 4 2 68 244.342 5 ↓

Analogs

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Popular Name: (2R)-1-[6-methyl-2-(2-pyridylmethyl)pyrimidin-4-yl]propan-2-amine (2R)-1-[6-methyl-2-(2-pyridylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.97 4.32 -41.42 3 4 1 66 243.334 4 ↓
Lo Low (pH 4.5-6) 0.97 4.72 -88.21 4 4 2 68 244.342 4 ↓

Analogs

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Popular Name: (2S)-1-[6-methyl-2-(2-pyridylmethyl)pyrimidin-4-yl]propan-2-amine (2S)-1-[6-methyl-2-(2-pyridylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.97 5.03 -35.71 3 4 1 66 243.334 4 ↓
Lo Low (pH 4.5-6) 0.97 5.45 -89.84 4 4 2 68 244.342 4 ↓

Analogs

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Popular Name: (2S)-1-[6-methyl-2-(2-pyridylmethyl)pyrimidin-4-yl]butan-2-amine (2S)-1-[6-methyl-2-(2-pyridylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.51 5.85 -42.68 3 4 1 66 257.361 5 ↓
Lo Low (pH 4.5-6) 1.51 6.25 -91.77 4 4 2 68 258.369 5 ↓

Analogs

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Popular Name: (2R)-1-[6-methyl-2-(2-pyridylmethyl)pyrimidin-4-yl]butan-2-amine (2R)-1-[6-methyl-2-(2-pyridylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.51 5.13 -45.6 3 4 1 66 257.361 5 ↓
Lo Low (pH 4.5-6) 1.51 5.53 -85.95 4 4 2 68 258.369 5 ↓

Analogs

43557914
43557914

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Popular Name: 4,6-dimethyl-2-(2-pyridylmethyl)pyrimidine-5-carboxylic 4,6-dimethyl-2-(2-pyridylmethyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.07 6.1 -49.25 0 5 -1 79 242.258 3 ↓
Lo Low (pH 4.5-6) 1.07 6.51 -56.94 1 5 0 80 243.266 3 ↓

Analogs

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Popular Name: 3-[4,6-dimethyl-2-(2-pyridylmethyl)pyrimidin-5-yl]propan-1-amine 3-[4,6-dimethyl-2-(2-pyridylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.00 4.85 -54.01 3 4 1 66 257.361 5 ↓
Lo Low (pH 4.5-6) 1.00 5.26 -86.94 4 4 2 68 258.369 5 ↓

Analogs

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Popular Name: 2-[4,6-dimethyl-2-(2-pyridylmethyl)pyrimidin-5-yl]ethanamine 2-[4,6-dimethyl-2-(2-pyridylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.48 4.06 -56.15 3 4 1 66 243.334 4 ↓
Lo Low (pH 4.5-6) 0.48 4.46 -89.65 4 4 2 68 244.342 4 ↓

Analogs

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Popular Name: [4,6-dimethyl-2-(2-pyridylmethyl)pyrimidin-5-yl]methanamine [4,6-dimethyl-2-(2-pyridylmethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.68 3.26 -53.08 3 4 1 66 229.307 3 ↓
Mid Mid (pH 6-8) 0.68 2.86 -9.87 2 4 0 65 228.299 3 ↓
Lo Low (pH 4.5-6) 0.68 3.67 -90.54 4 4 2 68 230.315 3 ↓

Analogs

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Popular Name: 3-[4,6-dimethyl-2-(2-pyridylmethyl)pyrimidin-5-yl]-N-methyl-propan-1-amine 3-[4,6-dimethyl-2-(2-pyridylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.98 6.73 -49.14 2 4 1 55 271.388 6 ↓
Lo Low (pH 4.5-6) 1.98 7.13 -82.55 3 4 2 57 272.396 6 ↓

Analogs

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Popular Name: 3-[4,6-dimethyl-2-(2-pyridylmethyl)pyrimidin-5-yl]-N-ethyl-propan-1-amine 3-[4,6-dimethyl-2-(2-pyridylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.00 7.53 -48.82 2 4 1 55 285.415 7 ↓
Lo Low (pH 4.5-6) 2.00 7.94 -82.34 3 4 2 57 286.423 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4,6-dimethyl-2-(2-pyridylmethyl)pyrimidin-5-yl]-N-methyl-ethanamine 2-[4,6-dimethyl-2-(2-pyridylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.46 5.94 -50.99 2 4 1 55 257.361 5 ↓
Lo Low (pH 4.5-6) 1.46 6.34 -84.87 3 4 2 57 258.369 5 ↓

Analogs

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Popular Name: 2-[4,6-dimethyl-2-(2-pyridylmethyl)pyrimidin-5-yl]-N-ethyl-ethanamine 2-[4,6-dimethyl-2-(2-pyridylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.49 6.75 -50.05 2 4 1 55 271.388 6 ↓
Lo Low (pH 4.5-6) 1.49 7.16 -84.71 3 4 2 57 272.396 6 ↓

Analogs

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Popular Name: N-[2-[4,6-dimethyl-2-(2-pyridylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine N-[2-[4,6-dimethyl-2-(2-pyridylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 7.51 -51.21 2 4 1 55 285.415 7 ↓
Lo Low (pH 4.5-6) 1.99 7.91 -86.11 3 4 2 57 286.423 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4,6-dimethyl-2-(2-pyridylmethyl)pyrimidin-5-yl]ethyl]propan-2-amine N-[2-[4,6-dimethyl-2-(2-pyridylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.13 7.31 -48.8 2 4 1 55 285.415 6 ↓
Lo Low (pH 4.5-6) 2.13 7.72 -83.54 3 4 2 57 286.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4,6-dimethyl-2-(2-pyridylmethyl)pyrimidin-5-yl]-N-methyl-methanamine 1-[4,6-dimethyl-2-(2-pyridylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.06 5.14 -47.28 2 4 1 55 243.334 4 ↓
Mid Mid (pH 6-8) 1.06 3.69 -9.16 1 4 0 51 242.326 4 ↓
Lo Low (pH 4.5-6) 1.06 5.54 -84.95 3 4 2 57 244.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4,6-dimethyl-2-(2-pyridylmethyl)pyrimidin-5-yl]methyl]ethanamine N-[[4,6-dimethyl-2-(2-pyridylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 6.03 -46.33 2 4 1 55 257.361 5 ↓
Mid Mid (pH 6-8) 1.43 4.61 -8.77 1 4 0 51 256.353 5 ↓
Lo Low (pH 4.5-6) 1.43 6.44 -84.32 3 4 2 57 258.369 5 ↓

Parameters Provided:

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