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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: [2-(2,5-dimethyl-3-thienyl)pyrimidin-4-yl]hydrazine [2-(2,5-dimethyl-3-thienyl)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) 1.53 5.39 -8.78 3 4 0 64 220.301 2 ↓

Analogs

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Popular Name: [2-(2,5-dimethyl-3-thienyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(2,5-dimethyl-3-thienyl)-5,6-…

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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) 2.34 6.59 -9.33 3 4 0 64 248.355 2 ↓

Analogs

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Popular Name: 4-chloro-6-isopropyl-2-(3-thienyl)pyrimidine 4-chloro-6-isopropyl-2-(3-thieny…

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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) 4.01 6.89 -5.85 0 2 0 26 238.743 2 ↓

Analogs

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Popular Name: 4-tert-butyl-6-chloro-2-(3-thienyl)pyrimidine 4-tert-butyl-6-chloro-2-(3-thien…

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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) 4.68 7.64 -5.68 0 2 0 26 252.77 2 ↓

Analogs

38004007
38004007

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Popular Name: 4-chloro-6-ethyl-2-(3-thienyl)pyrimidine 4-chloro-6-ethyl-2-(3-thienyl)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) 3.53 6.46 -6.15 0 2 0 26 224.716 2 ↓

Analogs

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Popular Name: 2-(3-thienyl)pyrimidine-4-carbaldehyde 2-(3-thienyl)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) 1.75 4.36 -14.55 0 3 0 43 190.227 2 ↓

Analogs

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Popular Name: [2-(3-thienyl)pyrimidin-4-yl]methanamine [2-(3-thienyl)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) 1.14 2.61 -49.08 3 3 1 53 192.267 2 ↓
Mid Mid (pH 6-8) 1.14 2.2 -7.05 2 3 0 52 191.259 2 ↓

Analogs

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Popular Name: N-methyl-1-[2-(3-thienyl)pyrimidin-4-yl]methanamine N-methyl-1-[2-(3-thienyl)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) 1.51 4.48 -43.49 2 3 1 42 206.294 3 ↓
Mid Mid (pH 6-8) 1.51 3.04 -6.62 1 3 0 38 205.286 3 ↓

Analogs

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Popular Name: N-[[2-(3-thienyl)pyrimidin-4-yl]methyl]ethanamine N-[[2-(3-thienyl)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) 1.89 5.34 -42.65 2 3 1 42 220.321 4 ↓
Mid Mid (pH 6-8) 1.89 3.97 -6.45 1 3 0 38 219.313 4 ↓

Analogs

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Popular Name: N-[[2-(3-thienyl)pyrimidin-4-yl]methyl]propan-1-amine N-[[2-(3-thienyl)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) 2.39 6.09 -43.43 2 3 1 42 234.348 5 ↓
Hi High (pH 8-9.5) 2.39 4.73 -6.28 1 3 0 38 233.34 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3-thienyl)pyrimidin-4-yl]methyl]propan-2-amine N-[[2-(3-thienyl)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) 2.19 5.87 -41.15 2 3 1 42 234.348 4 ↓
Hi High (pH 8-9.5) 2.19 4.66 -6.25 1 3 0 38 233.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-(3-thienyl)pyrimidin-4-yl]methyl]propan-2-amine 2-methyl-N-[[2-(3-thienyl)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) 2.70 6.3 -38.83 2 3 1 42 248.375 4 ↓
Hi High (pH 8-9.5) 2.70 5.06 -6.05 1 3 0 38 247.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-(3-thienyl)pyrimidin-4-yl]methyl]propan-1-amine 2-methyl-N-[[2-(3-thienyl)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) 2.64 6.78 -43.27 2 3 1 42 248.375 5 ↓
Hi High (pH 8-9.5) 2.64 5.56 -6.09 1 3 0 38 247.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[2-(3-thienyl)pyrimidin-4-yl]methyl]ethanamine 2-methoxy-N-[[2-(3-thienyl)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) 1.50 3.12 -8.12 1 4 0 47 249.339 6 ↓
Mid Mid (pH 6-8) 1.50 4.47 -43.76 2 4 1 52 250.347 6 ↓

Analogs

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Popular Name: 2-(3-thienyl)pyrimidine-4-carboxylic 2-(3-thienyl)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) 1.53 5.2 -50.36 0 4 -1 66 205.218 2 ↓

Analogs

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Popular Name: [2-(3-thienyl)pyrimidin-4-yl]methanol [2-(3-thienyl)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) 1.29 2.06 -8.05 1 3 0 46 192.243 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-(3-thienyl)pyrimidine 4-(chloromethyl)-2-(3-thienyl)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) 2.53 5.83 -7.82 0 2 0 26 210.689 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-methyl-2-(3-thienyl)pyrimidin-4-yl]methanol [6-methyl-2-(3-thienyl)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) 1.73 2.68 -8.46 1 3 0 46 206.27 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-(3-thienyl)pyrimidine-4-carbaldehyde 6-methyl-2-(3-thienyl)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) 2.19 4.96 -14.54 0 3 0 43 204.254 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-methyl-2-(3-thienyl)pyrimidin-4-yl]methanamine [6-methyl-2-(3-thienyl)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 3.21 -49.13 3 3 1 53 206.294 2 ↓
Mid Mid (pH 6-8) 1.58 2.81 -8.53 2 3 0 52 205.286 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[6-methyl-2-(3-thienyl)pyrimidin-4-yl]methanamine N-methyl-1-[6-methyl-2-(3-thieny…

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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) 1.95 5.09 -43.48 2 3 1 42 220.321 3 ↓
Mid Mid (pH 6-8) 1.95 3.64 -7.9 1 3 0 38 219.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-methyl-2-(3-thienyl)pyrimidin-4-yl]methyl]ethanamine N-[[6-methyl-2-(3-thienyl)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) 2.33 5.95 -42.62 2 3 1 42 234.348 4 ↓
Hi High (pH 8-9.5) 2.33 4.58 -6.62 1 3 0 38 233.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-methyl-2-(3-thienyl)pyrimidin-4-yl]methyl]propan-1-amine N-[[6-methyl-2-(3-thienyl)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) 2.83 6.7 -43.45 2 3 1 42 248.375 5 ↓
Hi High (pH 8-9.5) 2.83 5.34 -6.51 1 3 0 38 247.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-methyl-2-(3-thienyl)pyrimidin-4-yl]methyl]propan-2-amine N-[[6-methyl-2-(3-thienyl)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) 2.63 6.48 -40.43 2 3 1 42 248.375 4 ↓
Hi High (pH 8-9.5) 2.63 5.25 -7.65 1 3 0 38 247.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 6.88 -38.73 2 3 1 42 262.402 4 ↓
Hi High (pH 8-9.5) 3.14 5.66 -7.38 1 3 0 38 261.394 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.08 7.39 -43.19 2 3 1 42 262.402 5 ↓
Hi High (pH 8-9.5) 3.08 6.02 -7.48 1 3 0 38 261.394 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 3.66 -10.11 1 4 0 47 263.366 6 ↓
Mid Mid (pH 6-8) 1.94 5.08 -43.73 2 4 1 52 264.374 6 ↓

Analogs

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Popular Name: 6-methyl-2-(3-thienyl)pyrimidine-4-carboxylic 6-methyl-2-(3-thienyl)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) 1.97 5.81 -52.5 0 4 -1 66 219.245 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-6-methyl-2-(3-thienyl)pyrimidine 4-(chloromethyl)-6-methyl-2-(3-t…

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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) 2.97 6.44 -7.94 0 2 0 26 224.716 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(3-thienyl)pyrimidin-4-yl]ethanamine 2-[2-(3-thienyl)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) 0.94 3.42 -49.83 3 3 1 53 206.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-methyl-2-(3-thienyl)pyrimidin-4-yl]ethanamine 2-[6-methyl-2-(3-thienyl)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) 1.38 4.02 -50.02 3 3 1 53 220.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(3-thienyl)pyrimidin-4-yl]propan-2-amine (2S)-1-[2-(3-thienyl)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) 1.34 4.78 -40.3 3 3 1 53 220.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(3-thienyl)pyrimidin-4-yl]propan-2-amine (2R)-1-[2-(3-thienyl)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) 1.34 4.06 -43.15 3 3 1 53 220.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(3-thienyl)pyrimidin-4-yl]butan-2-amine (2S)-1-[2-(3-thienyl)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) 1.88 5.59 -40.08 3 3 1 53 234.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(3-thienyl)pyrimidin-4-yl]butan-2-amine (2R)-1-[2-(3-thienyl)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) 1.88 4.87 -43.05 3 3 1 53 234.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[6-methyl-2-(3-thienyl)pyrimidin-4-yl]propan-2-amine (2R)-1-[6-methyl-2-(3-thienyl)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) 1.78 4.67 -43.08 3 3 1 53 234.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[6-methyl-2-(3-thienyl)pyrimidin-4-yl]propan-2-amine (2S)-1-[6-methyl-2-(3-thienyl)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) 1.78 5.39 -40.37 3 3 1 53 234.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[6-methyl-2-(3-thienyl)pyrimidin-4-yl]butan-2-amine (2S)-1-[6-methyl-2-(3-thienyl)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) 2.31 6.19 -40.17 3 3 1 53 248.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[6-methyl-2-(3-thienyl)pyrimidin-4-yl]butan-2-amine (2R)-1-[6-methyl-2-(3-thienyl)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) 2.31 5.48 -43.07 3 3 1 53 248.375 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-(3-thienyl)pyrimidine-5-carboxylic 4,6-dimethyl-2-(3-thienyl)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) 1.88 6.45 -47.19 0 4 -1 66 233.272 2 ↓

Analogs

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Popular Name: 3-[4,6-dimethyl-2-(3-thienyl)pyrimidin-5-yl]propan-1-amine 3-[4,6-dimethyl-2-(3-thienyl)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) 1.81 5.2 -53.42 3 3 1 53 248.375 4 ↓

Analogs

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Popular Name: 2-[4,6-dimethyl-2-(3-thienyl)pyrimidin-5-yl]ethanamine 2-[4,6-dimethyl-2-(3-thienyl)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) 1.29 4.41 -55.86 3 3 1 53 234.348 3 ↓

Analogs

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Popular Name: [4,6-dimethyl-2-(3-thienyl)pyrimidin-5-yl]methanamine [4,6-dimethyl-2-(3-thienyl)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) 1.49 3.61 -53.11 3 3 1 53 220.321 2 ↓
Mid Mid (pH 6-8) 1.49 3.21 -8.13 2 3 0 52 219.313 2 ↓

Analogs

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Popular Name: 3-[4,6-dimethyl-2-(3-thienyl)pyrimidin-5-yl]-N-methyl-propan-1-amine 3-[4,6-dimethyl-2-(3-thienyl)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) 2.79 7.08 -48.63 2 3 1 42 262.402 5 ↓

Analogs

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Popular Name: 3-[4,6-dimethyl-2-(3-thienyl)pyrimidin-5-yl]-N-ethyl-propan-1-amine 3-[4,6-dimethyl-2-(3-thienyl)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) 2.81 7.88 -48.3 2 3 1 42 276.429 6 ↓

Analogs

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Popular Name: 3-[4,6-dimethyl-2-(3-thienyl)pyrimidin-5-yl]-N-propyl-propan-1-amine 3-[4,6-dimethyl-2-(3-thienyl)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) 3.31 8.64 -49.36 2 3 1 42 290.456 7 ↓

Analogs

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Popular Name: 3-[4,6-dimethyl-2-(3-thienyl)pyrimidin-5-yl]-N-isopropyl-propan-1-amine 3-[4,6-dimethyl-2-(3-thienyl)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) 3.46 8.45 -46.97 2 3 1 42 290.456 6 ↓

Analogs

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

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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) 3.97 8.87 -45.71 2 3 1 42 304.483 6 ↓

Analogs

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

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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) 3.56 9.36 -49.36 2 3 1 42 304.483 7 ↓

Analogs

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Popular Name: 3-[4,6-dimethyl-2-(3-thienyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine 3-[4,6-dimethyl-2-(3-thienyl)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) 2.42 7.06 -48.56 2 4 1 52 306.455 8 ↓

Parameters Provided:

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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 = 17057 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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