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Analogs

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Popular Name: 4-bromo-2-(4-pyridyl)pyrimidine 4-bromo-2-(4-pyridyl)pyrimidine

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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) 1.77 4.51 -6.9 0 3 0 39 236.072 1 ↓

Analogs

11818216
11818216

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Popular Name: methyl methyl

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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 -0.24 -18.48 1 7 0 94 342.399 8 ↓

Analogs

11818215
11818215

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Popular Name: methyl methyl

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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 -0.31 -18.4 1 7 0 94 342.399 8 ↓

Analogs

11842393
11842393

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Popular Name: 1-butyl-3-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]urea 1-butyl-3-[(1S)-1-[4-methyl-2-(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) 2.25 -3.42 -11.47 2 6 0 80 313.405 6 ↓

Analogs

11842392
11842392

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Popular Name: 1-butyl-3-[(1R)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]urea 1-butyl-3-[(1R)-1-[4-methyl-2-(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) 2.25 -3.49 -11.36 2 6 0 80 313.405 6 ↓

Analogs

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Popular Name: 4-chloro-6-ethyl-2-(pyridin-4-yl)pyrimidine 4-chloro-6-ethyl-2-(pyridin-4-yl…

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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) 2.65 5.84 -6.16 0 3 0 39 219.675 2 ↓

Analogs

20550156
20550156
8700462
8700462

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Popular Name: 4-Chloro-6-isopropyl-2-pyridin-4-yl-pyrimidine 4-Chloro-6-isopropyl-2-pyridin-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) 3.14 6.26 -5.68 0 3 0 39 233.702 2 ↓

Analogs

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Popular Name: 2-(4-pyridyl)pyrimidine-4-carbaldehyde 2-(4-pyridyl)pyrimidine-4-carbal…

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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) 0.87 3.73 -15.23 0 4 0 56 185.186 2 ↓

Analogs

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

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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) 0.26 1.98 -52.4 3 4 1 66 187.226 2 ↓
Mid Mid (pH 6-8) 0.26 1.58 -8.57 2 4 0 65 186.218 2 ↓

Analogs

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

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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) 0.64 3.85 -46.75 2 4 1 55 201.253 3 ↓
Mid Mid (pH 6-8) 0.64 2.41 -6.84 1 4 0 51 200.245 3 ↓

Analogs

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

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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) 1.01 4.71 -46.01 2 4 1 55 215.28 4 ↓
Mid Mid (pH 6-8) 1.01 3.34 -6.72 1 4 0 51 214.272 4 ↓

Analogs

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

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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 5.46 -46.86 2 4 1 55 229.307 5 ↓
Mid Mid (pH 6-8) 1.51 4.11 -6.53 1 4 0 51 228.299 5 ↓

Analogs

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

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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) 1.31 5.24 -44.52 2 4 1 55 229.307 4 ↓
Hi High (pH 8-9.5) 1.31 4.04 -6.52 1 4 0 51 228.299 4 ↓

Analogs

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

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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 5.67 -42.18 2 4 1 55 243.334 4 ↓
Hi High (pH 8-9.5) 1.82 4.43 -6.32 1 4 0 51 242.326 4 ↓

Analogs

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

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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) 1.76 6.16 -46.99 2 4 1 55 243.334 5 ↓
Hi High (pH 8-9.5) 1.76 4.94 -6.39 1 4 0 51 242.326 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[2-(4-pyridyl)pyrimidin-4-yl]methyl]ethanamine 2-methoxy-N-[[2-(4-pyridyl)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) 0.62 2.5 -8.31 1 5 0 60 244.298 6 ↓
Mid Mid (pH 6-8) 0.62 3.85 -47.12 2 5 1 65 245.306 6 ↓

Analogs

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Popular Name: 2-(4-pyridyl)pyrimidine-4-carboxylic 2-(4-pyridyl)pyrimidine-4-carbox…

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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) 0.65 4.58 -47.82 0 5 -1 79 200.177 2 ↓

Analogs

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

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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) 0.42 1.43 -8.09 1 4 0 59 187.202 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-(4-pyridyl)pyrimidine 4-(chloromethyl)-2-(4-pyridyl)py…

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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) 1.65 5.2 -8.36 0 3 0 39 205.648 2 ↓

Analogs

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Popular Name: [6-methyl-2-(4-pyridyl)pyrimidin-4-yl]methanol [6-methyl-2-(4-pyridyl)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) 0.86 2.05 -8.22 1 4 0 59 201.229 2 ↓

Analogs

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

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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) 1.31 4.33 -14.66 0 4 0 56 199.213 2 ↓

Analogs

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Popular Name: [6-methyl-2-(4-pyridyl)pyrimidin-4-yl]methanamine [6-methyl-2-(4-pyridyl)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) 0.70 2.59 -52.25 3 4 1 66 201.253 2 ↓
Mid Mid (pH 6-8) 0.70 2.18 -7.25 2 4 0 65 200.245 2 ↓

Analogs

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Popular Name: N-methyl-1-[6-methyl-2-(4-pyridyl)pyrimidin-4-yl]methanamine N-methyl-1-[6-methyl-2-(4-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) 1.08 4.46 -46.55 2 4 1 55 215.28 3 ↓
Mid Mid (pH 6-8) 1.08 3.02 -8.02 1 4 0 51 214.272 3 ↓

Analogs

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

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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) 1.45 5.32 -45.79 2 4 1 55 229.307 4 ↓
Mid Mid (pH 6-8) 1.45 3.95 -6.61 1 4 0 51 228.299 4 ↓

Analogs

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

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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) 1.96 6.07 -46.71 2 4 1 55 243.334 5 ↓
Hi High (pH 8-9.5) 1.96 4.71 -6.54 1 4 0 51 242.326 5 ↓

Analogs

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

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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) 1.75 5.85 -44.21 2 4 1 55 243.334 4 ↓
Hi High (pH 8-9.5) 1.75 4.64 -7.56 1 4 0 51 242.326 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[6-methyl-2-(4-pyridyl)pyrimidin-4-yl]methyl]propan-2-amine 2-methyl-N-[[6-methyl-2-(4-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) 2.26 6.27 -41.92 2 4 1 55 257.361 4 ↓
Hi High (pH 8-9.5) 2.26 5.04 -7.4 1 4 0 51 256.353 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[6-methyl-2-(4-pyridyl)pyrimidin-4-yl]methyl]propan-1-amine 2-methyl-N-[[6-methyl-2-(4-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) 2.20 6.76 -46.5 2 4 1 55 257.361 5 ↓
Hi High (pH 8-9.5) 2.20 5.54 -7.44 1 4 0 51 256.353 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[[6-methyl-2-(4-pyridyl)pyrimidin-4-yl]methyl]ethanamine 2-methoxy-N-[[6-methyl-2-(4-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) 1.06 3.03 -10.18 1 5 0 60 258.325 6 ↓
Mid Mid (pH 6-8) 1.06 4.45 -46.92 2 5 1 65 259.333 6 ↓

Analogs

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

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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) 1.09 5.18 -48.49 0 5 -1 79 214.204 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-6-methyl-2-(4-pyridyl)pyrimidine 4-(chloromethyl)-6-methyl-2-(4-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) 2.09 5.81 -8.16 0 3 0 39 219.675 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.06 2.79 -52.17 3 4 1 66 201.253 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.50 3.4 -52.21 3 4 1 66 215.28 3 ↓

Analogs

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Popular Name: (2S)-1-[2-(4-pyridyl)pyrimidin-4-yl]propan-2-amine (2S)-1-[2-(4-pyridyl)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) 0.46 4.16 -43.12 3 4 1 66 215.28 3 ↓

Analogs

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Popular Name: (2R)-1-[2-(4-pyridyl)pyrimidin-4-yl]propan-2-amine (2R)-1-[2-(4-pyridyl)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) 0.46 3.43 -46.23 3 4 1 66 215.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(4-pyridyl)pyrimidin-4-yl]butan-2-amine (2S)-1-[2-(4-pyridyl)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) 1.00 4.97 -43.08 3 4 1 66 229.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(4-pyridyl)pyrimidin-4-yl]butan-2-amine (2R)-1-[2-(4-pyridyl)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) 1.00 4.25 -46.27 3 4 1 66 229.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.90 4.04 -46.01 3 4 1 66 229.307 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.90 4.77 -43.1 3 4 1 66 229.307 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.44 5.58 -42.96 3 4 1 66 243.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.44 4.85 -46.13 3 4 1 66 243.334 4 ↓

Analogs

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

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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 5.81 -43.85 0 5 -1 79 228.231 2 ↓

Analogs

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Popular Name: 3-[4,6-dimethyl-2-(4-pyridyl)pyrimidin-5-yl]propan-1-amine 3-[4,6-dimethyl-2-(4-pyridyl)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) 0.93 4.57 -55.01 3 4 1 66 243.334 4 ↓

Analogs

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Popular Name: 2-[4,6-dimethyl-2-(4-pyridyl)pyrimidin-5-yl]ethanamine 2-[4,6-dimethyl-2-(4-pyridyl)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) 0.41 3.78 -58.02 3 4 1 66 229.307 3 ↓

Analogs

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Popular Name: [4,6-dimethyl-2-(4-pyridyl)pyrimidin-5-yl]methanamine [4,6-dimethyl-2-(4-pyridyl)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) 0.61 2.58 -7.94 2 4 0 65 214.272 2 ↓
Mid Mid (pH 6-8) 0.61 2.99 -56.06 3 4 1 66 215.28 2 ↓

Analogs

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Popular Name: 3-[4,6-dimethyl-2-(4-pyridyl)pyrimidin-5-yl]-N-methyl-propan-1-amine 3-[4,6-dimethyl-2-(4-pyridyl)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) 1.91 6.45 -50.24 2 4 1 55 257.361 5 ↓

Analogs

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Popular Name: 3-[4,6-dimethyl-2-(4-pyridyl)pyrimidin-5-yl]-N-ethyl-propan-1-amine 3-[4,6-dimethyl-2-(4-pyridyl)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) 1.94 7.26 -49.95 2 4 1 55 271.388 6 ↓

Analogs

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Popular Name: 3-[4,6-dimethyl-2-(4-pyridyl)pyrimidin-5-yl]-N-propyl-propan-1-amine 3-[4,6-dimethyl-2-(4-pyridyl)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) 2.44 8.01 -51.07 2 4 1 55 285.415 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4,6-dimethyl-2-(4-pyridyl)pyrimidin-5-yl]-N-isopropyl-propan-1-amine 3-[4,6-dimethyl-2-(4-pyridyl)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) 2.58 7.83 -48.7 2 4 1 55 285.415 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4,6-dimethyl-2-(4-pyridyl)pyrimidin-5-yl]-N-methyl-ethanamine 2-[4,6-dimethyl-2-(4-pyridyl)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) 1.39 5.66 -52.78 2 4 1 55 243.334 4 ↓

Parameters Provided:

ring.id = 27386
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 27386 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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