UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43224410
43224410
167497
167497

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Popular Name: 4-chloro-6-ethyl-2-(pyridin-2-yl)pyrimidine 4-chloro-6-ethyl-2-(pyridin-2-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) 2.80 5.76 -8.89 0 3 0 39 219.675 2 ↓

Analogs

43224410
43224410
167497
167497

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Popular Name: 4-chloro-6-isopropyl-2-(2-pyridyl)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) 3.28 6.19 -8.68 0 3 0 39 233.702 2 ↓

Analogs

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Popular Name: 4-Chloro-2-(2-pyridinyl)-6-(trifluoromethyl)-pyrimidine 4-Chloro-2-(2-pyridinyl)-6-(trif…

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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 5.45 -7.72 0 3 0 39 259.618 2 ↓

Analogs

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Popular Name: 2-(3-methyl-2-pyridyl)pyrimidine-4-carbaldehyde 2-(3-methyl-2-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) 1.41 4.87 -19.85 0 4 0 56 199.213 2 ↓

Analogs

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Popular Name: 2-(2-pyridyl)pyrimidine-4-carbaldehyde 2-(2-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) 1.01 3.66 -19.74 0 4 0 56 185.186 2 ↓

Analogs

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Popular Name: [2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methanamine [2-(3-methyl-2-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) 0.81 3.11 -49.09 3 4 1 66 201.253 2 ↓
Mid Mid (pH 6-8) 0.81 2.71 -12.22 2 4 0 65 200.245 2 ↓

Analogs

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Popular Name: [2-(2-pyridyl)pyrimidin-4-yl]methanamine [2-(2-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) 0.41 1.91 -49.37 3 4 1 66 187.226 2 ↓
Mid Mid (pH 6-8) 0.41 1.51 -10.31 2 4 0 65 186.218 2 ↓

Analogs

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Popular Name: N-methyl-1-[2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methanamine N-methyl-1-[2-(3-methyl-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) 1.18 4.99 -43.71 2 4 1 55 215.28 3 ↓
Mid Mid (pH 6-8) 1.18 3.54 -11.72 1 4 0 51 214.272 3 ↓

Analogs

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Popular Name: N-methyl-1-[2-(2-pyridyl)pyrimidin-4-yl]methanamine N-methyl-1-[2-(2-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) 0.78 3.79 -44.02 2 4 1 55 201.253 3 ↓
Mid Mid (pH 6-8) 0.78 2.34 -10.01 1 4 0 51 200.245 3 ↓

Analogs

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Popular Name: N-[[2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methyl]ethanamine N-[[2-(3-methyl-2-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) 1.56 5.85 -42.88 2 4 1 55 229.307 4 ↓
Mid Mid (pH 6-8) 1.56 4.48 -9.65 1 4 0 51 228.299 4 ↓

Analogs

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Popular Name: N-[[2-(2-pyridyl)pyrimidin-4-yl]methyl]ethanamine N-[[2-(2-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) 1.16 4.65 -43.16 2 4 1 55 215.28 4 ↓
Mid Mid (pH 6-8) 1.16 3.28 -9.76 1 4 0 51 214.272 4 ↓

Analogs

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Popular Name: N-[[2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methyl]propan-1-amine N-[[2-(3-methyl-2-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) 2.06 6.6 -43.64 2 4 1 55 243.334 5 ↓
Mid Mid (pH 6-8) 2.06 5.24 -9.55 1 4 0 51 242.326 5 ↓

Analogs

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Popular Name: N-[[2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methyl]propan-2-amine N-[[2-(3-methyl-2-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) 1.85 6.38 -40.7 2 4 1 55 243.334 4 ↓
Hi High (pH 8-9.5) 1.85 5.17 -11.24 1 4 0 51 242.326 4 ↓

Analogs

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Popular Name: N-[[2-(2-pyridyl)pyrimidin-4-yl]methyl]propan-2-amine N-[[2-(2-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) 1.45 5.18 -41.92 2 4 1 55 229.307 4 ↓
Hi High (pH 8-9.5) 1.45 3.97 -9.62 1 4 0 51 228.299 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methyl]propan-2-amine 2-methyl-N-[[2-(3-methyl-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) 2.37 6.79 -39.29 2 4 1 55 257.361 4 ↓
Hi High (pH 8-9.5) 2.37 5.57 -11.11 1 4 0 51 256.353 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(2-pyridyl)pyrimidin-4-yl]methyl]propan-2-amine 2-methyl-N-[[2-(2-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) 1.97 5.61 -39.51 2 4 1 55 243.334 4 ↓
Hi High (pH 8-9.5) 1.97 4.36 -9.41 1 4 0 51 242.326 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methyl]propan-1-amine 2-methyl-N-[[2-(3-methyl-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) 2.30 7.29 -43.78 2 4 1 55 257.361 5 ↓
Hi High (pH 8-9.5) 2.30 6.07 -11.12 1 4 0 51 256.353 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(2-pyridyl)pyrimidin-4-yl]methyl]propan-1-amine 2-methyl-N-[[2-(2-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) 1.90 6.09 -44.12 2 4 1 55 243.334 5 ↓
Hi High (pH 8-9.5) 1.90 4.72 -9.6 1 4 0 51 242.326 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[[2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methyl]ethanamine 2-methoxy-N-[[2-(3-methyl-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) 1.17 3.56 -14.21 1 5 0 60 258.325 6 ↓
Mid Mid (pH 6-8) 1.17 4.98 -44.58 2 5 1 65 259.333 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[[2-(2-pyridyl)pyrimidin-4-yl]methyl]ethanamine 2-methoxy-N-[[2-(2-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) 0.76 2.43 -11.84 1 5 0 60 244.298 6 ↓
Mid Mid (pH 6-8) 0.76 3.78 -44.83 2 5 1 65 245.306 6 ↓

Analogs

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Popular Name: 2-(3-methyl-2-pyridyl)pyrimidine-4-carboxylic 2-(3-methyl-2-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) 1.19 5.72 -57.86 0 5 -1 79 214.204 2 ↓

Analogs

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Popular Name: 2-(2-pyridyl)pyrimidine-4-carboxylic 2-(2-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) 0.79 4.51 -57.06 0 5 -1 79 200.177 2 ↓

Analogs

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Popular Name: [2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methanol [2-(3-methyl-2-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) 0.96 2.57 -10.89 1 4 0 59 201.229 2 ↓

Analogs

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Popular Name: [2-(2-pyridyl)pyrimidin-4-yl]methanol [2-(2-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) 0.56 1.37 -11.04 1 4 0 59 187.202 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-(3-methyl-2-pyridyl)pyrimidine 4-(chloromethyl)-2-(3-methyl-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) 2.20 6.34 -11.35 0 3 0 39 219.675 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-(2-pyridyl)pyrimidine 4-(chloromethyl)-2-(2-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) 1.80 5.14 -11.45 0 3 0 39 205.648 2 ↓

Analogs

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Popular Name: [6-methyl-2-(2-pyridyl)pyrimidin-4-yl]methanol [6-methyl-2-(2-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) 1.00 1.97 -11.31 1 4 0 59 201.229 2 ↓

Analogs

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Popular Name: [6-methyl-2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methanol [6-methyl-2-(3-methyl-2-pyridyl)…

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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) 1.40 3.16 -11.69 1 4 0 59 215.256 2 ↓

Analogs

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Popular Name: 6-methyl-2-(3-methyl-2-pyridyl)pyrimidine-4-carbaldehyde 6-methyl-2-(3-methyl-2-pyridyl)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) 1.85 5.45 -19.2 0 4 0 56 213.24 2 ↓

Analogs

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Popular Name: 6-methyl-2-(2-pyridyl)pyrimidine-4-carbaldehyde 6-methyl-2-(2-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) 1.45 4.26 -17.5 0 4 0 56 199.213 2 ↓

Analogs

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Popular Name: [6-methyl-2-(2-pyridyl)pyrimidin-4-yl]methanamine [6-methyl-2-(2-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) 0.84 2.51 -49.3 3 4 1 66 201.253 2 ↓
Mid Mid (pH 6-8) 0.84 2.11 -10.37 2 4 0 65 200.245 2 ↓

Analogs

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Popular Name: [6-methyl-2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methanamine [6-methyl-2-(3-methyl-2-pyridyl)…

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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) 1.25 3.68 -48.74 3 4 1 66 215.28 2 ↓
Mid Mid (pH 6-8) 1.25 3.28 -10.2 2 4 0 65 214.272 2 ↓

Analogs

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Popular Name: N-methyl-1-[6-methyl-2-(2-pyridyl)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) 1.22 4.38 -43.77 2 4 1 55 215.28 3 ↓
Mid Mid (pH 6-8) 1.22 2.94 -11.74 1 4 0 51 214.272 3 ↓

Analogs

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Popular Name: N-methyl-1-[6-methyl-2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methanamine N-methyl-1-[6-methyl-2-(3-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) 1.62 5.56 -43.33 2 4 1 55 229.307 3 ↓
Mid Mid (pH 6-8) 1.62 4.11 -11.65 1 4 0 51 228.299 3 ↓

Analogs

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Popular Name: N-[[6-methyl-2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methyl]ethanamine N-[[6-methyl-2-(3-methyl-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) 2.00 6.41 -42.5 2 4 1 55 243.334 4 ↓
Mid Mid (pH 6-8) 2.00 5.05 -9.65 1 4 0 51 242.326 4 ↓

Analogs

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Popular Name: N-[[6-methyl-2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methyl]propan-1-amine N-[[6-methyl-2-(3-methyl-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) 2.50 7.17 -43.23 2 4 1 55 257.361 5 ↓
Hi High (pH 8-9.5) 2.50 5.81 -9.53 1 4 0 51 256.353 5 ↓

Analogs

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Popular Name: N-[[6-methyl-2-(2-pyridyl)pyrimidin-4-yl]methyl]propan-2-amine N-[[6-methyl-2-(2-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) 1.89 5.77 -41.63 2 4 1 55 243.334 4 ↓
Hi High (pH 8-9.5) 1.89 4.55 -11.51 1 4 0 51 242.326 4 ↓

Analogs

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Popular Name: N-[[6-methyl-2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methyl]propan-2-amine N-[[6-methyl-2-(3-methyl-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) 2.29 6.95 -41.17 2 4 1 55 257.361 4 ↓
Hi High (pH 8-9.5) 2.29 5.74 -11.06 1 4 0 51 256.353 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[6-methyl-2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methyl]propan-2-amine 2-methyl-N-[[6-methyl-2-(3-methy…

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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) 2.81 7.35 -38.72 2 4 1 55 271.388 4 ↓
Hi High (pH 8-9.5) 2.81 6.13 -11.02 1 4 0 51 270.38 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[6-methyl-2-(2-pyridyl)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) 2.34 6.69 -43.76 2 4 1 55 257.361 5 ↓
Hi High (pH 8-9.5) 2.34 5.47 -11.21 1 4 0 51 256.353 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[6-methyl-2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methyl]propan-1-amine 2-methyl-N-[[6-methyl-2-(3-methy…

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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) 2.74 7.86 -43.31 2 4 1 55 271.388 5 ↓
Hi High (pH 8-9.5) 2.74 6.64 -11.08 1 4 0 51 270.38 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[[6-methyl-2-(2-pyridyl)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) 1.20 2.95 -14.28 1 5 0 60 258.325 6 ↓
Mid Mid (pH 6-8) 1.20 4.38 -44.52 2 5 1 65 259.333 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[[6-methyl-2-(3-methyl-2-pyridyl)pyrimidin-4-yl]methyl]ethanamine 2-methoxy-N-[[6-methyl-2-(3-meth…

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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) 1.60 4.13 -14.14 1 5 0 60 272.352 6 ↓
Mid Mid (pH 6-8) 1.60 5.55 -44.12 2 5 1 65 273.36 6 ↓

Analogs

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Popular Name: 6-methyl-2-(3-methyl-2-pyridyl)pyrimidine-4-carboxylic 6-methyl-2-(3-methyl-2-pyridyl)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) 1.63 6.3 -58.75 0 5 -1 79 228.231 2 ↓

Analogs

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Popular Name: 6-methyl-2-(2-pyridyl)pyrimidine-4-carboxylic 6-methyl-2-(2-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) 1.23 5.12 -52.21 0 5 -1 79 214.204 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-6-methyl-2-(2-pyridyl)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) 2.24 5.73 -11.35 0 3 0 39 219.675 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-6-methyl-2-(3-methyl-2-pyridyl)pyrimidine 4-(chloromethyl)-6-methyl-2-(3-m…

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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) 2.64 6.91 -11.17 0 3 0 39 233.702 2 ↓

Analogs

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Popular Name: 2-[2-(3-methyl-2-pyridyl)pyrimidin-4-yl]ethanamine 2-[2-(3-methyl-2-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) 0.60 3.93 -49.25 3 4 1 66 215.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-pyridyl)pyrimidin-4-yl]ethanamine 2-[2-(2-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) 0.20 2.73 -49.74 3 4 1 66 201.253 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-methyl-2-(3-methyl-2-pyridyl)pyrimidin-4-yl]ethanamine 2-[6-methyl-2-(3-methyl-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) 1.04 4.49 -49.13 3 4 1 66 229.307 3 ↓

Parameters Provided:

ring.id = 27384
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 = 27384 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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