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Analogs

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Popular Name: 6-chloro-N-cyclopropyl-N-ethyl-pyrimidin-4-amine 6-chloro-N-cyclopropyl-N-ethyl-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) 2.00 6.82 -4.46 0 3 0 29 197.669 3 ↓

Analogs

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Popular Name: 6-chloro-N-cyclopropyl-N-methyl-pyrimidin-4-amine 6-chloro-N-cyclopropyl-N-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 6.02 -4.92 0 3 0 29 183.642 2 ↓

Analogs

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Popular Name: 6-chloro-N-cyclopropyl-N-propyl-pyrimidin-4-amine 6-chloro-N-cyclopropyl-N-propyl-…

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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 7.57 -4.37 0 3 0 29 211.696 4 ↓

Analogs

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Popular Name: (2-Chloro-6-methyl-pyrimidin-4-yl)-cyclopropyl-amine (2-Chloro-6-methyl-pyrimidin-4-y…

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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 4.3 -6.23 1 3 0 38 183.642 2 ↓

Analogs

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Popular Name: 2-chloro-N-cyclopropyl-N-ethyl-6-methyl-pyrimidin-4-amine 2-chloro-N-cyclopropyl-N-ethyl-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) 2.42 6.8 -6.44 0 3 0 29 211.696 3 ↓

Analogs

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Popular Name: 2-chloro-N-cyclopropyl-N,6-dimethyl-pyrimidin-4-amine 2-chloro-N-cyclopropyl-N,6-dimet…

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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 -7 0 3 0 29 197.669 2 ↓

Analogs

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Popular Name: 2-chloro-N-cyclopropyl-6-methyl-N-propyl-pyrimidin-4-amine 2-chloro-N-cyclopropyl-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) 2.92 7.56 -6.06 0 3 0 29 225.723 4 ↓

Analogs

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Popular Name: N-butyl-2-chloro-N-cyclopropyl-6-methyl-pyrimidin-4-amine N-butyl-2-chloro-N-cyclopropyl-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) 3.48 8.33 -6.04 0 3 0 29 239.75 5 ↓

Analogs

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Popular Name: 2-chloro-N-cyclopropyl-N-(2-methoxyethyl)-6-methyl-pyrimidin-4-amine 2-chloro-N-cyclopropyl-N-(2-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) 2.03 6.17 -7.54 0 4 0 38 241.722 5 ↓

Analogs

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Popular Name: 2-[(2-chloro-6-methyl-pyrimidin-4-yl)-cyclopropyl-amino]ethanol 2-[(2-chloro-6-methyl-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) 1.41 3.77 -8.32 1 4 0 49 227.695 4 ↓

Analogs

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Popular Name: 3-[(2-chloro-6-methyl-pyrimidin-4-yl)-cyclopropyl-amino]propanenitrile 3-[(2-chloro-6-methyl-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) 1.50 7.31 -10.35 0 4 0 53 236.706 4 ↓

Analogs

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Popular Name: 2-chloro-N-cyclopropyl-N-isobutyl-6-methyl-pyrimidin-4-amine 2-chloro-N-cyclopropyl-N-isobuty…

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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) 3.16 7.68 -6.3 0 3 0 29 239.75 4 ↓

Analogs

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Popular Name: 2-chloro-N-cyclopropyl-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine 2-chloro-N-cyclopropyl-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) 2.97 7.06 -7.78 0 3 0 29 265.666 4 ↓

Analogs

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Popular Name: 2-chloro-N-[(1R)-2,2-dimethylcyclopropyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[(1R)-2,2-dimethylcyc…

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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 5.63 -5.82 1 3 0 38 211.696 2 ↓

Analogs

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Popular Name: 2-chloro-N-[(1S)-2,2-dimethylcyclopropyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[(1S)-2,2-dimethylcyc…

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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 5.63 -5.81 1 3 0 38 211.696 2 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1R,2S)-2-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) 2.41 5.12 -6.07 1 3 0 38 197.669 2 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[(1S,2S)-2-methylcyclopropyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1S,2S)-2-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) 2.41 4.98 -5.92 1 3 0 38 197.669 2 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[(1R,2R)-2-methylcyclopropyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1R,2R)-2-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) 2.41 4.98 -5.93 1 3 0 38 197.669 2 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1S,2R)-2-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) 2.41 5.12 -6.06 1 3 0 38 197.669 2 ↓

Analogs

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Popular Name: 6-chloro-N-cyclopropyl-2-methyl-pyrimidin-4-amine 6-chloro-N-cyclopropyl-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) 1.47 4.26 -4.59 1 3 0 38 183.642 2 ↓

Analogs

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Popular Name: 6-chloro-N-cyclopropyl-N-ethyl-2-methyl-pyrimidin-4-amine 6-chloro-N-cyclopropyl-N-ethyl-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) 2.09 6.77 -4.86 0 3 0 29 211.696 3 ↓

Analogs

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Popular Name: 6-chloro-N-cyclopropyl-N,2-dimethyl-pyrimidin-4-amine 6-chloro-N-cyclopropyl-N,2-dimet…

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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) 1.71 5.96 -5.23 0 3 0 29 197.669 2 ↓

Analogs

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Popular Name: 6-chloro-N-cyclopropyl-2-methyl-N-propyl-pyrimidin-4-amine 6-chloro-N-cyclopropyl-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) 2.59 7.52 -4.5 0 3 0 29 225.723 4 ↓

Analogs

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Popular Name: N-butyl-6-chloro-N-cyclopropyl-2-methyl-pyrimidin-4-amine N-butyl-6-chloro-N-cyclopropyl-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) 3.15 8.3 -4.56 0 3 0 29 239.75 5 ↓

Analogs

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Popular Name: 6-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-pyrimidin-4-amine 6-chloro-N-cyclopropyl-N-(2-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) 1.70 6.12 -5.5 0 4 0 38 241.722 5 ↓

Analogs

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Popular Name: 2-[(6-chloro-2-methyl-pyrimidin-4-yl)-cyclopropyl-amino]ethanol 2-[(6-chloro-2-methyl-pyrimidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.08 3.72 -6.22 1 4 0 49 227.695 4 ↓

Analogs

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Popular Name: 3-[(6-chloro-2-methyl-pyrimidin-4-yl)-cyclopropyl-amino]propanenitrile 3-[(6-chloro-2-methyl-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) 1.17 7.27 -8.85 0 4 0 53 236.706 4 ↓

Analogs

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Popular Name: 6-chloro-N-cyclopropyl-N-isobutyl-2-methyl-pyrimidin-4-amine 6-chloro-N-cyclopropyl-N-isobuty…

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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 7.63 -4.6 0 3 0 29 239.75 4 ↓

Analogs

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Popular Name: 6-chloro-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine 6-chloro-N-cyclopropyl-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) 2.64 7.01 -6.32 0 3 0 29 265.666 4 ↓

Analogs

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Popular Name: 6-chloro-N-[(1R)-2,2-dimethylcyclopropyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[(1R)-2,2-dimethylcyc…

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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) 2.03 5.59 -4.23 1 3 0 38 211.696 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(1S)-2,2-dimethylcyclopropyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[(1S)-2,2-dimethylcyc…

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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) 2.03 5.59 -4.22 1 3 0 38 211.696 2 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(1R,2S)-2-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) 2.08 5.08 -4.43 1 3 0 38 197.669 2 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(1S,2S)-2-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) 2.08 4.94 -4.33 1 3 0 38 197.669 2 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-[(1R,2R)-2-methylcyclopropyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(1R,2R)-2-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) 2.08 4.94 -4.34 1 3 0 38 197.669 2 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(1S,2R)-2-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) 2.08 5.08 -4.41 1 3 0 38 197.669 2 ↓

Analogs

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Popular Name: 3-[cyclopropyl-(2-methylpyrimidin-4-yl)amino]propanoic 3-[cyclopropyl-(2-methylpyrimidi…

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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) 0.21 7.02 -42.91 0 5 -1 69 220.252 5 ↓
Mid Mid (pH 6-8) 0.21 7.46 -50.71 1 5 0 70 221.26 5 ↓

Analogs

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Popular Name: 2-[cyclopropyl-(2-methylpyrimidin-4-yl)amino]acetic 2-[cyclopropyl-(2-methylpyrimidi…

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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) -0.98 6.68 -45.94 0 5 -1 69 206.225 4 ↓
Mid Mid (pH 6-8) -0.98 7.12 -47.36 1 5 0 70 207.233 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-methylpyrimidin-4-yl)propane-1,3-diamine N-cyclopropyl-N-(2-methylpyrimid…

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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) -0.23 4.49 -52 3 4 1 57 207.301 5 ↓
Mid Mid (pH 6-8) -0.23 4.93 -93.79 4 4 2 58 208.309 5 ↓

Analogs

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Popular Name: 3-[cyclopropyl-(2-methylpyrimidin-4-yl)amino]propanenitrile 3-[cyclopropyl-(2-methylpyrimidi…

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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) 0.15 6.84 -9.3 0 4 0 53 202.261 4 ↓
Mid Mid (pH 6-8) 0.15 7.29 -37.62 1 4 1 54 203.269 4 ↓

Analogs

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Popular Name: 3-[cyclopropyl-(2-methylpyrimidin-4-yl)amino]propanethioamide 3-[cyclopropyl-(2-methylpyrimidi…

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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) -0.12 5.45 -10.22 2 4 0 55 236.344 5 ↓
Mid Mid (pH 6-8) -0.12 5.9 -35.87 3 4 1 56 237.352 5 ↓

Analogs

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Popular Name: 3-[cyclopropyl-(2-methylpyrimidin-4-yl)amino]-N'-hydroxy-propanamidine 3-[cyclopropyl-(2-methylpyrimidi…

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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) -0.02 3.3 -8.02 3 6 0 88 235.291 5 ↓
Mid Mid (pH 6-8) -0.02 3.74 -33.71 4 6 1 89 236.299 5 ↓

Analogs

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Popular Name: 3-[cyclopropyl-(2-methylpyrimidin-4-yl)amino]propanamidine 3-[cyclopropyl-(2-methylpyrimidi…

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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) 0.05 4.02 -44.16 4 5 1 81 220.3 5 ↓
Mid Mid (pH 6-8) 0.05 4.48 -89.04 5 5 2 82 221.308 5 ↓

Analogs

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Popular Name: N-cyclopropyl-2-methyl-pyrimidin-4-amine N-cyclopropyl-2-methyl-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) 0.45 3.85 -5.53 1 3 0 38 149.197 2 ↓
Mid Mid (pH 6-8) 0.45 4.29 -29.96 2 3 1 39 150.205 2 ↓

Analogs

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Popular Name: N-[(1R)-2,2-dimethylcyclopropyl]-2-methyl-pyrimidin-4-amine N-[(1R)-2,2-dimethylcyclopropyl]…

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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 5.17 -5.16 1 3 0 38 177.251 2 ↓
Mid Mid (pH 6-8) 1.01 5.61 -29.95 2 3 1 39 178.259 2 ↓

Analogs

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Popular Name: N-[(1S)-2,2-dimethylcyclopropyl]-2-methyl-pyrimidin-4-amine N-[(1S)-2,2-dimethylcyclopropyl]…

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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 5.17 -5.16 1 3 0 38 177.251 2 ↓
Mid Mid (pH 6-8) 1.01 5.61 -29.96 2 3 1 39 178.259 2 ↓

Analogs

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Popular Name: 2-methyl-N-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine 2-methyl-N-[(1R,2S)-2-methylcycl…

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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 4.66 -5.36 1 3 0 38 163.224 2 ↓
Mid Mid (pH 6-8) 1.06 5.1 -30.01 2 3 1 39 164.232 2 ↓

Analogs

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Popular Name: 2-methyl-N-[(1S,2S)-2-methylcyclopropyl]pyrimidin-4-amine 2-methyl-N-[(1S,2S)-2-methylcycl…

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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 4.52 -5.3 1 3 0 38 163.224 2 ↓
Mid Mid (pH 6-8) 1.06 4.96 -29.88 2 3 1 39 164.232 2 ↓

Analogs

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Popular Name: 2-methyl-N-[(1R,2R)-2-methylcyclopropyl]pyrimidin-4-amine 2-methyl-N-[(1R,2R)-2-methylcycl…

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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 4.52 -5.32 1 3 0 38 163.224 2 ↓
Mid Mid (pH 6-8) 1.06 4.96 -29.89 2 3 1 39 164.232 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine 2-methyl-N-[(1S,2R)-2-methylcycl…

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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 4.66 -5.34 1 3 0 38 163.224 2 ↓
Mid Mid (pH 6-8) 1.06 5.1 -30.03 2 3 1 39 164.232 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1-(2-methylpyrimidin-4-yl)cyclopropane-1,2-diamine (1R,2S)-N1-(2-methylpyrimidin-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) -0.41 1.4 -47.53 4 4 1 65 165.22 2 ↓
Hi High (pH 8-9.5) -0.41 1.05 -5.97 3 4 0 64 164.212 2 ↓
Mid Mid (pH 6-8) -0.41 1.84 -91.04 5 4 2 67 166.228 2 ↓

Parameters Provided:

ring.id = 21814
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 = 21814 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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