UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39293193
39293193

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Popular Name: N-[5-Bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl]-N-methylmethane sulfonamide N-[5-Bromomethyl-4-(4-fluorophen…

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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) 3.78 9.61 -11.12 0 5 0 63 416.316 5 ↓

Analogs

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Popular Name: 4-(2,6-dimethylpyrimidin-4-yl)aniline 4-(2,6-dimethylpyrimidin-4-yl)an…

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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) 1.29 4.62 -7.94 2 3 0 52 199.257 1 ↓

Analogs

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Popular Name: 4-(3,4-dimethoxyphenyl)-6-methyl-pyrimidin-2-amine 4-(3,4-dimethoxyphenyl)-6-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) 1.57 5.37 -10.76 2 5 0 70 245.282 3 ↓
Lo Low (pH 4.5-6) 1.57 5.81 -35.34 3 5 1 72 246.29 3 ↓
Lo Low (pH 4.5-6) 1.57 5.78 -32.4 3 5 1 72 246.29 3 ↓

Analogs

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Popular Name: 4-(2,5-dimethoxyphenyl)-6-methyl-pyrimidin-2-amine 4-(2,5-dimethoxyphenyl)-6-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) 1.97 5.23 -9.76 2 5 0 70 245.282 3 ↓

Analogs

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Popular Name: 4-methyl-6-(4-methyl-3-nitro-phenyl)pyrimidin-2-amine 4-methyl-6-(4-methyl-3-nitro-phe…

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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 7.49 -13.49 2 6 0 98 244.254 2 ↓

Analogs

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Popular Name: 4-(4-tert-butylphenyl)-6-methyl-pyrimidin-2-amine 4-(4-tert-butylphenyl)-6-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) 3.63 8.49 -6.97 2 3 0 52 241.338 2 ↓

Analogs

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Popular Name: 4-[2-(difluoromethoxy)phenyl]-6-methyl-pyrimidin-2-amine 4-[2-(difluoromethoxy)phenyl]-6-…

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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) 2.49 6.21 -10.8 2 4 0 61 251.236 3 ↓

Analogs

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Popular Name: 4-(4-ethoxyphenyl)-6-methyl-pyrimidin-2-amine 4-(4-ethoxyphenyl)-6-methyl-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) 2.36 6.4 -7.73 2 4 0 61 229.283 3 ↓
Lo Low (pH 4.5-6) 2.36 6.78 -28.83 3 4 1 62 230.291 3 ↓
Lo Low (pH 4.5-6) 2.36 6.83 -30.76 3 4 1 62 230.291 3 ↓

Analogs

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Popular Name: 4-(4-isobutylphenyl)-6-methyl-pyrimidin-2-amine 4-(4-isobutylphenyl)-6-methyl-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) 3.23 8.85 -6.95 2 3 0 52 241.338 3 ↓

Analogs

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Popular Name: 4-(4-ethylphenyl)-6-methyl-pyrimidin-2-amine 4-(4-ethylphenyl)-6-methyl-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) 2.84 7.61 -7.17 2 3 0 52 213.284 2 ↓

Analogs

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Popular Name: 4-(2,4-dimethylphenyl)-6-methyl-pyrimidin-2-amine 4-(2,4-dimethylphenyl)-6-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) 2.75 7.6 -6.58 2 3 0 52 213.284 1 ↓

Analogs

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Popular Name: 4-(2,5-dimethylphenyl)-6-methyl-pyrimidin-2-amine 4-(2,5-dimethylphenyl)-6-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) 2.75 7.6 -6.55 2 3 0 52 213.284 1 ↓

Analogs

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Popular Name: 4-(2-ethoxyphenyl)-6-methyl-pyrimidin-2-amine 4-(2-ethoxyphenyl)-6-methyl-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) 2.31 6.87 -9.45 2 4 0 61 229.283 3 ↓

Analogs

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Popular Name: 4-methyl-6-(4-propoxyphenyl)pyrimidin-2-amine 4-methyl-6-(4-propoxyphenyl)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) 2.86 7.2 -7.51 2 4 0 61 243.31 4 ↓
Lo Low (pH 4.5-6) 2.86 7.58 -28.7 3 4 1 62 244.318 4 ↓
Lo Low (pH 4.5-6) 2.86 7.64 -30.64 3 4 1 62 244.318 4 ↓

Analogs

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Popular Name: 4-(4-isopropylphenyl)-6-methyl-pyrimidin-2-amine 4-(4-isopropylphenyl)-6-methyl-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) 3.44 8.08 -6.94 2 3 0 52 227.311 2 ↓

Analogs

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Popular Name: 4-(4-isopropoxyphenyl)-6-methyl-pyrimidin-2-amine 4-(4-isopropoxyphenyl)-6-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) 2.72 7.02 -7.7 2 4 0 61 243.31 3 ↓
Lo Low (pH 4.5-6) 2.72 7.41 -28.67 3 4 1 62 244.318 3 ↓

Analogs

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Popular Name: 4-methyl-6-(4-propylphenyl)pyrimidin-2-amine 4-methyl-6-(4-propylphenyl)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) 3.23 8.39 -7.05 2 3 0 52 227.311 3 ↓

Analogs

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Popular Name: 4-[4-(difluoromethoxy)phenyl]-6-methyl-pyrimidin-2-amine 4-[4-(difluoromethoxy)phenyl]-6-…

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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) 2.54 5.75 -10.28 2 4 0 61 251.236 3 ↓
Lo Low (pH 4.5-6) 2.54 6.14 -30.49 3 4 1 62 252.244 3 ↓
Lo Low (pH 4.5-6) 2.54 6.19 -33.62 3 4 1 62 252.244 3 ↓

Analogs

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Popular Name: 4-[3-(difluoromethoxy)phenyl]-6-methyl-pyrimidin-2-amine 4-[3-(difluoromethoxy)phenyl]-6-…

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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) 2.52 5.75 -10.28 2 4 0 61 251.236 3 ↓

Analogs

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Popular Name: 4-methyl-6-(2-nitrophenyl)pyrimidin-2-amine 4-methyl-6-(2-nitrophenyl)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) 1.84 7.01 -14.56 2 6 0 98 230.227 2 ↓

Analogs

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Popular Name: 4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine 4-methyl-6-(4-methylsulfonylphen…

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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) 0.80 3.71 -15.11 2 5 0 86 263.322 2 ↓

Analogs

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Popular Name: 4-(3-fluoro-4-methoxy-phenyl)-6-methyl-pyrimidin-2-amine 4-(3-fluoro-4-methoxy-phenyl)-6-…

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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) 2.08 5.55 -11.1 2 4 0 61 233.246 2 ↓
Lo Low (pH 4.5-6) 2.08 5.93 -32.58 3 4 1 62 234.254 2 ↓
Lo Low (pH 4.5-6) 2.08 5.98 -36.15 3 4 1 62 234.254 2 ↓

Analogs

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Popular Name: 4-(2-methoxy-5-methyl-phenyl)-6-methyl-pyrimidin-2-amine 4-(2-methoxy-5-methyl-phenyl)-6-…

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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) 2.36 6.61 -9.45 2 4 0 61 229.283 2 ↓

Analogs

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Popular Name: 4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine 4-methyl-6-[4-(trifluoromethyl)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) 2.82 7.17 -7.17 2 3 0 52 253.227 2 ↓

Analogs

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Popular Name: 4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine 4-methyl-6-[4-(trifluoromethoxy)…

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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) 2.90 5.97 -7.39 2 4 0 61 269.226 3 ↓
Lo Low (pH 4.5-6) 2.90 6.35 -30.88 3 4 1 62 270.234 3 ↓
Lo Low (pH 4.5-6) 2.90 6.4 -32.88 3 4 1 62 270.234 3 ↓

Analogs

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Popular Name: 4-(3-chloro-4-fluoro-phenyl)-6-methyl-pyrimidin-2-amine 4-(3-chloro-4-fluoro-phenyl)-6-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) 2.70 6.73 -8.31 2 3 0 52 237.665 1 ↓

Analogs

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Popular Name: 4-(3-bromophenyl)-6-methyl-pyrimidin-2-amine 4-(3-bromophenyl)-6-methyl-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) 2.71 6.78 -8.09 2 3 0 52 264.126 1 ↓

Analogs

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Popular Name: 4-(2,4-dimethoxyphenyl)-6-methyl-pyrimidin-2-amine 4-(2,4-dimethoxyphenyl)-6-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) 1.97 5.25 -10.56 2 5 0 70 245.282 3 ↓
Lo Low (pH 4.5-6) 1.97 5.69 -31.53 3 5 1 72 246.29 3 ↓
Lo Low (pH 4.5-6) 1.97 5.5 -25.96 3 5 1 72 246.29 3 ↓

Analogs

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Popular Name: 4-methyl-6-(4-nitrophenyl)pyrimidin-2-amine 4-methyl-6-(4-nitrophenyl)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 6.88 -9.49 2 6 0 98 230.227 2 ↓

Analogs

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Popular Name: 4-(2-chlorophenyl)-6-methyl-pyrimidin-2-amine 4-(2-chlorophenyl)-6-methyl-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) 2.56 7.11 -8.44 2 3 0 52 219.675 1 ↓

Analogs

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Popular Name: 4-(2-amino-6-methyl-pyrimidin-4-yl)benzonitrile 4-(2-amino-6-methyl-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) 1.68 6.56 -9.41 2 4 0 76 210.24 1 ↓

Analogs

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Popular Name: 4-(2,6-difluorophenyl)-6-methyl-pyrimidin-2-amine 4-(2,6-difluorophenyl)-6-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) 2.16 6.24 -9.88 2 3 0 52 221.21 1 ↓

Analogs

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Popular Name: 4-(2-fluorophenyl)-6-methyl-pyrimidin-2-amine 4-(2-fluorophenyl)-6-methyl-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) 2.04 6.42 -10.52 2 3 0 52 203.22 1 ↓

Analogs

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Popular Name: 4-(2-bromophenyl)-6-methyl-pyrimidin-2-amine 4-(2-bromophenyl)-6-methyl-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) 2.69 7.31 -8.13 2 3 0 52 264.126 1 ↓

Analogs

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Popular Name: 4-(3,4-dichlorophenyl)-6-methyl-pyrimidin-2-amine 4-(3,4-dichlorophenyl)-6-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) 3.21 7.13 -7.82 2 3 0 52 254.12 1 ↓

Analogs

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Popular Name: 4-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine 4-methyl-6-[3-(trifluoromethyl)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) 2.80 7.18 -9.18 2 3 0 52 253.227 2 ↓

Analogs

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Popular Name: 4-(3,4-dimethylphenyl)-6-methyl-pyrimidin-2-amine 4-(3,4-dimethylphenyl)-6-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) 2.75 7.39 -7.62 2 3 0 52 213.284 1 ↓

Analogs

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Popular Name: 4-(2,4-dichlorophenyl)-6-methyl-pyrimidin-2-amine 4-(2,4-dichlorophenyl)-6-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) 3.21 7.62 -7.4 2 3 0 52 254.12 1 ↓

Analogs

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Popular Name: 4-(2,4-dichloro-5-fluoro-phenyl)-6-methyl-pyrimidin-2-amine 4-(2,4-dichloro-5-fluoro-phenyl)…

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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) 3.30 7.66 -6.03 2 3 0 52 272.11 1 ↓

Analogs

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Popular Name: 4-methyl-6-(m-tolyl)pyrimidin-2-amine 4-methyl-6-(m-tolyl)pyrimidin-2-…

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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) 2.35 6.83 -7.55 2 3 0 52 199.257 1 ↓

Analogs

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Popular Name: 6-(3,4-dimethylphenyl)pyrimidin-4-amine 6-(3,4-dimethylphenyl)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) 2.34 6.16 -7.11 2 3 0 52 199.257 1 ↓
Lo Low (pH 4.5-6) 2.34 6.53 -29.58 3 3 1 53 200.265 1 ↓

Analogs

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Popular Name: 6-(4-ethylphenyl)pyrimidin-4-amine 6-(4-ethylphenyl)pyrimidin-4-amine

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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) 2.42 6.38 -6.66 2 3 0 52 199.257 2 ↓
Lo Low (pH 4.5-6) 2.42 6.74 -29.81 3 3 1 53 200.265 2 ↓

Analogs

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Popular Name: 6-(2,5-dimethylphenyl)pyrimidin-4-amine 6-(2,5-dimethylphenyl)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) 2.34 6.4 -6.2 2 3 0 52 199.257 1 ↓
Lo Low (pH 4.5-6) 2.34 6.81 -28.86 3 3 1 53 200.265 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,4-dimethylphenyl)pyrimidin-4-amine 6-(2,4-dimethylphenyl)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) 2.34 6.39 -6.21 2 3 0 52 199.257 1 ↓
Lo Low (pH 4.5-6) 2.34 6.85 -28.87 3 3 1 53 200.265 1 ↓

Analogs

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Popular Name: 6-(4-fluoro-3-methyl-phenyl)pyrimidin-4-amine 6-(4-fluoro-3-methyl-phenyl)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) 2.05 5.64 -6.76 2 3 0 52 203.22 1 ↓
Lo Low (pH 4.5-6) 2.05 6.01 -34.03 3 3 1 53 204.228 1 ↓

Analogs

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Popular Name: 6-(2,5-difluorophenyl)pyrimidin-4-amine 6-(2,5-difluorophenyl)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) 1.76 5.26 -7.84 2 3 0 52 207.183 1 ↓
Lo Low (pH 4.5-6) 1.76 5.53 -29.25 3 3 1 53 208.191 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,4-difluorophenyl)pyrimidin-4-amine 6-(3,4-difluorophenyl)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) 1.76 5.07 -6.58 2 3 0 52 207.183 1 ↓
Lo Low (pH 4.5-6) 1.76 5.42 -37.87 3 3 1 53 208.191 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,4-difluorophenyl)pyrimidin-4-amine 6-(2,4-difluorophenyl)pyrimidin-…

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Activity (Go SEA)

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 5.26 -9.03 2 3 0 52 207.183 1 ↓
Lo Low (pH 4.5-6) 1.76 5.39 -32.76 3 3 1 53 208.191 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-6-phenyl-pyrimidin-2-amine 4-isopropyl-6-phenyl-pyrimidin-2…

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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) 2.98 7.4 -7.08 2 3 0 52 213.284 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,4-dimethylphenyl)-2-methyl-pyrimidin-4-amine 6-(3,4-dimethylphenyl)-2-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) 2.42 6.11 -7.6 2 3 0 52 213.284 1 ↓
Mid Mid (pH 6-8) 2.42 6.45 -26.57 3 3 1 53 214.292 1 ↓

Parameters Provided:

ring.id = 20195
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 = 20195 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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