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Analogs

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Popular Name: 6-chloro-N-cyclopentyl-N-methyl-pyrimidin-4-amine 6-chloro-N-cyclopentyl-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) 2.66 7.32 -4.35 0 3 0 29 211.696 2 ↓

Analogs

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Popular Name: 6-chloro-N-cyclopentyl-N-ethyl-pyrimidin-4-amine 6-chloro-N-cyclopentyl-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) 3.03 8.73 -4.08 0 3 0 29 225.723 3 ↓

Analogs

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Popular Name: 2-chloro-N-cyclopentyl-6-methyl-pyrimidin-4-amine 2-chloro-N-cyclopentyl-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) 2.83 5.54 -5.67 1 3 0 38 211.696 2 ↓

Analogs

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Popular Name: 2-chloro-N-cyclopentyl-N,6-dimethyl-pyrimidin-4-amine 2-chloro-N-cyclopentyl-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) 3.08 7.33 -6.46 0 3 0 29 225.723 2 ↓

Analogs

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Popular Name: 2-chloro-N-cyclopentyl-N-ethyl-6-methyl-pyrimidin-4-amine 2-chloro-N-cyclopentyl-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) 3.45 8.69 -5.95 0 3 0 29 239.75 3 ↓

Analogs

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Popular Name: 2-[(2-chloro-6-methyl-pyrimidin-4-yl)-cyclopentyl-amino]acetamide 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) 1.81 5.03 -14.49 2 5 0 72 268.748 4 ↓

Analogs

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Popular Name: 2-[(2-chloro-6-methyl-pyrimidin-4-yl)-cyclopentyl-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) 2.44 5.37 -7.44 1 4 0 49 255.749 4 ↓

Analogs

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

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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 4.95 -7.11 1 4 0 47 241.722 3 ↓

Analogs

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

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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 4.54 -5.84 1 4 0 47 241.722 3 ↓

Analogs

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

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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 4.52 -6.19 1 4 0 47 241.722 3 ↓

Analogs

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

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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 4.87 -7.27 1 4 0 47 241.722 3 ↓

Analogs

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Popular Name: 6-chloro-N-cyclopentyl-2-methyl-pyrimidin-4-amine 6-chloro-N-cyclopentyl-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) 2.50 5.51 -4.21 1 3 0 38 211.696 2 ↓

Analogs

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Popular Name: 6-chloro-N-cyclopentyl-N,2-dimethyl-pyrimidin-4-amine 6-chloro-N-cyclopentyl-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) 2.75 7.29 -4.69 0 3 0 29 225.723 2 ↓

Analogs

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Popular Name: 6-chloro-N-cyclopentyl-N-ethyl-2-methyl-pyrimidin-4-amine 6-chloro-N-cyclopentyl-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) 3.12 8.59 -4.41 0 3 0 29 239.75 3 ↓

Analogs

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Popular Name: 2-[(6-chloro-2-methyl-pyrimidin-4-yl)-cyclopentyl-amino]acetamide 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) 1.48 4.93 -12.29 2 5 0 72 268.748 4 ↓

Analogs

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Popular Name: 2-[(6-chloro-2-methyl-pyrimidin-4-yl)-cyclopentyl-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) 2.11 5.27 -5.53 1 4 0 49 255.749 4 ↓

Analogs

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

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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 4.92 -5.11 1 4 0 47 241.722 3 ↓

Analogs

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

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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 4.51 -4.85 1 4 0 47 241.722 3 ↓

Analogs

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

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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 4.49 -5.09 1 4 0 47 241.722 3 ↓

Analogs

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

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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 4.84 -5.26 1 4 0 47 241.722 3 ↓

Analogs

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Popular Name: 6-(cyclopentylamino)pyrimidine-4-carboxylic 6-(cyclopentylamino)pyrimidine-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) 1.42 5.67 -47.83 1 5 -1 78 206.225 3 ↓
Mid Mid (pH 6-8) 1.42 6.1 -28.49 2 5 0 79 207.233 3 ↓

Analogs

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Popular Name: 2-[cyclopentyl-(2-methylpyrimidin-4-yl)amino]acetic 2-[cyclopentyl-(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) 0.06 7.83 -46.03 0 5 -1 69 234.279 4 ↓
Mid Mid (pH 6-8) 0.06 8.27 -46.77 1 5 0 70 235.287 4 ↓

Analogs

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Popular Name: 1-[(2-methylpyrimidin-4-yl)amino]cyclopentanecarboxylic 1-[(2-methylpyrimidin-4-yl)amino…

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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 4.95 -45.4 1 5 -1 78 220.252 3 ↓
Mid Mid (pH 6-8) -1.18 5.39 -40 2 5 0 79 221.26 3 ↓

Analogs

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Popular Name: N-cyclopentyl-N-(2-methylpyrimidin-4-yl)propane-1,3-diamine N-cyclopentyl-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) 0.80 6.34 -49.69 3 4 1 57 235.355 5 ↓
Mid Mid (pH 6-8) 0.80 6.78 -92.02 4 4 2 58 236.363 5 ↓

Analogs

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Popular Name: N-cyclopentyl-2-methyl-pyrimidin-4-amine N-cyclopentyl-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) 1.48 5.09 -5.11 1 3 0 38 177.251 2 ↓
Mid Mid (pH 6-8) 1.48 5.53 -29.54 2 3 1 39 178.259 2 ↓

Analogs

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Popular Name: 2-methyl-N-(1-methylcyclopentyl)pyrimidin-4-amine 2-methyl-N-(1-methylcyclopentyl)…

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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) 1.93 6.02 -4.99 1 3 0 38 191.278 2 ↓
Mid Mid (pH 6-8) 1.93 6.47 -29.1 2 3 1 39 192.286 2 ↓

Analogs

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

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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) 0.95 4.5 -6.36 1 4 0 47 207.277 3 ↓
Mid Mid (pH 6-8) 0.95 4.94 -30.51 2 4 1 48 208.285 3 ↓

Analogs

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

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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) 0.95 4.09 -5.48 1 4 0 47 207.277 3 ↓
Mid Mid (pH 6-8) 0.95 4.53 -29.99 2 4 1 48 208.285 3 ↓

Analogs

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

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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) 0.95 4.07 -5.82 1 4 0 47 207.277 3 ↓
Mid Mid (pH 6-8) 0.95 4.51 -29.93 2 4 1 48 208.285 3 ↓

Analogs

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

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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) 0.95 4.43 -6.46 1 4 0 47 207.277 3 ↓
Mid Mid (pH 6-8) 0.95 4.87 -30.26 2 4 1 48 208.285 3 ↓

Analogs

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Popular Name: [1-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol [1-[(2-methylpyrimidin-4-yl)amin…

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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) 0.92 1.83 -7.29 2 4 0 58 207.277 3 ↓
Mid Mid (pH 6-8) 0.92 2.27 -31.33 3 4 1 59 208.285 3 ↓

Analogs

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Popular Name: 2-[cyclopentyl-(2-methylpyrimidin-4-yl)amino]ethanol 2-[cyclopentyl-(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) 1.09 4.89 -6.32 1 4 0 49 221.304 4 ↓
Mid Mid (pH 6-8) 1.09 5.33 -31.3 2 4 1 50 222.312 4 ↓

Analogs

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Popular Name: N-cyclopentyl-N-(2-methylpyrimidin-4-yl)ethane-1,2-diamine N-cyclopentyl-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) 0.53 5.58 -52.59 3 4 1 57 221.328 4 ↓
Hi High (pH 8-9.5) 0.53 5.19 -4.75 2 4 0 55 220.32 4 ↓
Mid Mid (pH 6-8) 0.53 6.02 -98.09 4 4 2 58 222.336 4 ↓

Analogs

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Popular Name: N-cyclopentyl-6-hydrazino-5-nitro-pyrimidin-4-amine N-cyclopentyl-6-hydrazino-5-nitr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 5.12 -5.76 4 8 0 122 238.251 4 ↓

Analogs

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Popular Name: N6-cyclopentyl-N4-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine N6-cyclopentyl-N4-(2-methoxyethy…

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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) 1.46 6.33 -6.4 2 8 0 105 281.316 7 ↓

Analogs

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Popular Name: N-cyclopentyl-6-ethoxy-5-nitro-pyrimidin-4-amine N-cyclopentyl-6-ethoxy-5-nitro-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) 2.05 5.81 -6.67 1 7 0 93 252.274 5 ↓

Analogs

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Popular Name: N-cyclopentyl-6-isopropoxy-5-nitro-pyrimidin-4-amine N-cyclopentyl-6-isopropoxy-5-nit…

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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 6.72 -6.72 1 7 0 93 266.301 5 ↓

Analogs

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Popular Name: 6-(N'-tert-butylhydrazino)-N-cyclopentyl-5-nitro-pyrimidin-4-amine 6-(N'-tert-butylhydrazino)-N-cyc…

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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 8.17 -4.9 3 8 0 108 294.359 6 ↓

Analogs

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Popular Name: N6-cyclopentyl-N4-isopentyl-5-nitro-pyrimidine-4,6-diamine N6-cyclopentyl-N4-isopentyl-5-ni…

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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) 3.13 9.29 -4.53 2 7 0 96 293.371 7 ↓

Analogs

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Popular Name: N6-cyclopentyl-N4-[(1S)-2-methoxy-1-methyl-ethyl]-5-nitro-pyrimidine-4,6-diamine N6-cyclopentyl-N4-[(1S)-2-methox…

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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) 1.79 7.27 -5.93 2 8 0 105 295.343 7 ↓

Analogs

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Popular Name: N6-cyclopentyl-N4-[(1R)-2-methoxy-1-methyl-ethyl]-5-nitro-pyrimidine-4,6-diamine N6-cyclopentyl-N4-[(1R)-2-methox…

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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) 1.79 7.27 -5.92 2 8 0 105 295.343 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-cyclopentyl-N4-[(1R)-1-methylpropyl]-5-nitro-pyrimidine-4,6-diamine N6-cyclopentyl-N4-[(1R)-1-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) 2.69 8.94 -4.76 2 7 0 96 279.344 6 ↓

Analogs

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Popular Name: N6-cyclopentyl-N4-[(1S)-1-methylpropyl]-5-nitro-pyrimidine-4,6-diamine N6-cyclopentyl-N4-[(1S)-1-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) 2.69 8.94 -4.74 2 7 0 96 279.344 6 ↓

Analogs

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Popular Name: 4-(cyclopentylamino)-6-methylsulfanyl-pyrimidine-5-carbonitrile 4-(cyclopentylamino)-6-methylsul…

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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) 2.02 6.93 -5.14 1 4 0 62 234.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N1-[6-(methoxymethyl)pyrimidin-4-yl]cyclopentane-1,3-diamine (1R,3R)-N1-[6-(methoxymethyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.07 2.19 -49.75 4 5 1 75 223.3 4 ↓
Lo Low (pH 4.5-6) -0.07 2.64 -86.82 5 5 2 76 224.308 4 ↓

Analogs

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Popular Name: 2-[(6-chloropyrimidin-4-yl)-cyclopentyl-amino]acetamide 2-[(6-chloropyrimidin-4-yl)-cycl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.39 5.07 -11.95 2 5 0 72 254.721 4 ↓

Parameters Provided:

ring.id = 21816
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 = 21816 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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