UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42690469
42690469

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Popular Name: 6-chloro-N-methyl-N-(1-methyl-4-piperidyl)pyrimidin-4-amine 6-chloro-N-methyl-N-(1-methyl-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 7.67 -42.79 1 4 1 33 241.746 2 ↓

Analogs

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Popular Name: 6-chloro-N-(1-methyl-4-piperidyl)pyrimidin-4-amine 6-chloro-N-(1-methyl-4-piperidyl…

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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) 1.43 5.88 -42.07 2 4 1 42 227.719 2 ↓

Analogs

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Popular Name: 2-chloro-N,6-dimethyl-N-(1-methyl-4-piperidyl)pyrimidin-4-amine 2-chloro-N,6-dimethyl-N-(1-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.10 7.76 -41.11 1 4 1 33 255.773 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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 5.62 -11.89 1 6 0 67 298.774 4 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-(1-methyl-4-piperidyl)pyrimidin-4-amine 2-chloro-6-methyl-N-(1-methyl-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) 1.85 5.88 -45.4 2 4 1 42 241.746 2 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-(1-propyl-4-piperidyl)pyrimidin-4-amine 2-chloro-6-methyl-N-(1-propyl-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) 2.73 7.28 -45.29 2 4 1 42 269.8 4 ↓

Analogs

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Popular Name: 2-chloro-N-(1-ethyl-4-piperidyl)-N,6-dimethyl-pyrimidin-4-amine 2-chloro-N-(1-ethyl-4-piperidyl)…

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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) 2.47 8.32 -45.3 1 4 1 33 269.8 3 ↓

Analogs

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Popular Name: 6-chloro-N,2-dimethyl-N-(1-methyl-4-piperidyl)pyrimidin-4-amine 6-chloro-N,2-dimethyl-N-(1-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 7.73 -41.27 1 4 1 33 255.773 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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 5.59 -10 1 6 0 67 298.774 4 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-(1-methyl-4-piperidyl)pyrimidin-4-amine 6-chloro-2-methyl-N-(1-methyl-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) 1.52 5.85 -42.31 2 4 1 42 241.746 2 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-(1-propyl-4-piperidyl)pyrimidin-4-amine 6-chloro-2-methyl-N-(1-propyl-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) 2.40 7.24 -42.15 2 4 1 42 269.8 4 ↓

Analogs

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Popular Name: 6-chloro-N-(1-ethyl-4-piperidyl)-N,2-dimethyl-pyrimidin-4-amine 6-chloro-N-(1-ethyl-4-piperidyl)…

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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) 2.14 8.28 -42.03 1 4 1 33 269.8 3 ↓

Analogs

39287025
39287025
39957229
39957229

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Popular Name: 2-Chloro-N-piperidin-4-ylpyrimidin-4-amine hydrochloride 2-Chloro-N-piperidin-4-ylpyrimid…

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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) 0.82 2.99 -51.32 3 4 1 54 213.692 2 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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 9.05 -12.31 1 10 0 121 497.394 7 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.63 7.15 -15.76 1 9 0 111 439.314 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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 5.16 -10.79 1 6 0 67 264.329 4 ↓
Mid Mid (pH 6-8) 0.95 5.61 -38.55 2 6 1 69 265.337 4 ↓

Analogs

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

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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) 0.50 5.43 -42.43 2 4 1 42 207.301 2 ↓
Mid Mid (pH 6-8) 0.50 5.87 -83.15 3 4 2 43 208.309 2 ↓

Analogs

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Popular Name: 2-[4-[(2-methylpyrimidin-4-yl)amino]-1-piperidyl]acetamide 2-[4-[(2-methylpyrimidin-4-yl)am…

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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) -0.77 2.32 -48.23 4 6 1 85 250.326 4 ↓
Mid Mid (pH 6-8) -0.77 0.12 -11.95 3 6 0 84 249.318 4 ↓
Mid Mid (pH 6-8) -0.77 2.76 -91.02 5 6 2 87 251.334 4 ↓

Analogs

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Popular Name: N-(1-ethyl-4-piperidyl)-2-methyl-pyrimidin-4-amine N-(1-ethyl-4-piperidyl)-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) 0.88 6.08 -41.43 2 4 1 42 221.328 3 ↓
Mid Mid (pH 6-8) 0.88 6.52 -83.08 3 4 2 43 222.336 3 ↓

Analogs

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

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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 6.82 -42.26 2 4 1 42 235.355 4 ↓
Mid Mid (pH 6-8) 1.38 7.27 -84.39 3 4 2 43 236.363 4 ↓

Analogs

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Popular Name: 2-methyl-N-(4-piperidyl)pyrimidin-4-amine 2-methyl-N-(4-piperidyl)pyrimidi…

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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) -0.10 3.2 -47.31 3 4 1 54 193.274 2 ↓
Mid Mid (pH 6-8) -0.10 3.64 -87.3 4 4 2 56 194.282 2 ↓

Analogs

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Popular Name: 2-[(3-acetylanilino)carbonyl]cyclohexanecarboxylic acid 2-[(3-acetylanilino)carbonyl]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) 2.43 5.33 -35.9 2 5 1 51 279.408 3 ↓

Analogs

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Popular Name: N-(1-allyl-4-piperidyl)-6-chloro-2-methyl-pyrimidin-4-amine N-(1-allyl-4-piperidyl)-6-chloro…

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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) 2.17 7.07 -41.95 2 4 1 42 267.784 4 ↓
Hi High (pH 8-9.5) 2.17 4.79 -4.4 1 4 0 41 266.776 4 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.45 6.64 -11.94 1 6 0 67 346.353 5 ↓

Analogs

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Popular Name: 6-hydrazino-N-methyl-N-(1-methyl-4-piperidyl)-5-nitro-pyrimidin-4-amine 6-hydrazino-N-methyl-N-(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) 0.13 6.53 -39.11 4 9 1 117 282.328 4 ↓

Analogs

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Popular Name: N6-(2-methoxyethyl)-N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamine N6-(2-methoxyethyl)-N4-methyl-N4…

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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) 0.73 7.74 -39.34 2 9 1 101 325.393 7 ↓

Analogs

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Popular Name: 6-ethoxy-N-methyl-N-(1-methyl-4-piperidyl)-5-nitro-pyrimidin-4-amine 6-ethoxy-N-methyl-N-(1-methyl-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) 1.32 7.26 -40.06 1 8 1 89 296.351 5 ↓

Analogs

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Popular Name: 6-isopropoxy-N-methyl-N-(1-methyl-4-piperidyl)-5-nitro-pyrimidin-4-amine 6-isopropoxy-N-methyl-N-(1-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.68 8.18 -39.98 1 8 1 89 310.378 5 ↓

Analogs

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Popular Name: 6-(N'-tert-butylhydrazino)-N-methyl-N-(1-methyl-4-piperidyl)-5-nitro-pyrimidin-4-amine 6-(N'-tert-butylhydrazino)-N-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) 1.69 9.64 -37.54 3 9 1 103 338.436 6 ↓

Analogs

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Popular Name: N4-isopentyl-N6-methyl-N6-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamine N4-isopentyl-N6-methyl-N6-(1-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) 2.40 10.75 -37.63 2 8 1 91 337.448 7 ↓

Analogs

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Popular Name: N4-[(1S)-2-methoxy-1-methyl-ethyl]-N6-methyl-N6-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamin N4-[(1S)-2-methoxy-1-methyl-ethy…

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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 8.73 -38.21 2 9 1 101 339.42 7 ↓

Analogs

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Popular Name: N4-[(1R)-2-methoxy-1-methyl-ethyl]-N6-methyl-N6-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamin N4-[(1R)-2-methoxy-1-methyl-ethy…

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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 8.73 -38.7 2 9 1 101 339.42 7 ↓

Analogs

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Popular Name: N6-methyl-N6-(1-methyl-4-piperidyl)-N4-[(1R)-1-methylpropyl]-5-nitro-pyrimidine-4,6-diamine N6-methyl-N6-(1-methyl-4-piperid…

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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 10.4 -37.43 2 8 1 91 323.421 6 ↓

Analogs

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Popular Name: N6-methyl-N6-(1-methyl-4-piperidyl)-N4-[(1S)-1-methylpropyl]-5-nitro-pyrimidine-4,6-diamine N6-methyl-N6-(1-methyl-4-piperid…

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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 10.4 -37.52 2 8 1 91 323.421 6 ↓

Analogs

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Popular Name: methyl 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) 0.79 5.25 -35.41 2 6 1 69 265.337 3 ↓
Mid Mid (pH 6-8) 0.79 4.85 -11.26 1 6 0 67 264.329 3 ↓

Analogs

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Popular Name: methyl 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) 1.09 4.07 -10.69 3 7 0 93 285.735 3 ↓

Analogs

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Popular Name: methyl 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) 0.51 4.7 -35.33 4 7 1 95 266.325 3 ↓
Mid Mid (pH 6-8) 0.51 4.25 -11.69 3 7 0 93 265.317 3 ↓

Analogs

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Popular Name: 4-[(1-methyl-4-piperidyl)amino]-6-methylsulfanyl-pyrimidine-5-carbonitrile 4-[(1-methyl-4-piperidyl)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) 1.03 7.3 -40.81 2 5 1 66 264.378 3 ↓

Analogs

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Popular Name: 6-methyl-N-(1-propyl-4-piperidyl)pyrimidin-4-amine 6-methyl-N-(1-propyl-4-piperidyl…

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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 7.48 -42.44 2 4 1 42 235.355 4 ↓
Mid Mid (pH 6-8) 1.73 7.91 -83.48 3 4 2 43 236.363 4 ↓

Analogs

40765226
40765226

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Popular Name: 6-ethyl-N-(1-propyl-4-piperidyl)pyrimidin-4-amine 6-ethyl-N-(1-propyl-4-piperidyl)…

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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 8.26 -42.25 2 4 1 42 249.382 5 ↓
Mid Mid (pH 6-8) 2.30 8.65 -83.31 3 4 2 43 250.39 5 ↓

Analogs

40765741
40765741

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Popular Name: 6-propyl-N-(1-propyl-4-piperidyl)pyrimidin-4-amine 6-propyl-N-(1-propyl-4-piperidyl…

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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 9.04 -42.13 2 4 1 42 263.409 6 ↓
Mid Mid (pH 6-8) 2.81 9.43 -84.18 3 4 2 43 264.417 6 ↓

Analogs

40766504
40766504

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Popular Name: 6-isopropyl-N-(1-propyl-4-piperidyl)pyrimidin-4-amine 6-isopropyl-N-(1-propyl-4-piperi…

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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 8.71 -42.91 2 4 1 42 263.409 5 ↓
Mid Mid (pH 6-8) 2.79 9.37 -82.91 3 4 2 43 264.417 5 ↓

Analogs

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Popular Name: N-(1-propyl-4-piperidyl)pyrimidin-4-amine N-(1-propyl-4-piperidyl)pyrimidi…

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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 6.85 -41.97 2 4 1 42 221.328 4 ↓
Lo Low (pH 4.5-6) 1.29 7.34 -86.1 3 4 2 43 222.336 4 ↓

Analogs

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

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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 5.25 -44.99 2 4 1 42 227.719 2 ↓

Analogs

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Popular Name: tert-butyl-4-((2-chloropyrimidin-4-yl)amino)piperidine-1-carboxylate tert-butyl-4-((2-chloropyrimidin…

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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) 2.45 6.07 -11 1 6 0 67 312.801 4 ↓

Analogs

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Popular Name: 4-(6-Chloro-pyrimidin-4-ylamino)-piperidine-1-carboxylic acid tert-butyl ester 4-(6-Chloro-pyrimidin-4-ylamino)…

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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) 2.47 6.73 -8.95 1 6 0 67 312.801 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-Chloro-pyrimidin-4-yl)-piperidin-4-yl-amine hydrochloride (6-Chloro-pyrimidin-4-yl)-piperi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.84 3.66 -46.89 3 4 1 54 213.692 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N4-(1-isopropyl-4-piperidyl)pyrimidine-4,5-diamine 6-chloro-N4-(1-isopropyl-4-piper…

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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) 1.52 5.63 -38.66 4 5 1 68 270.788 3 ↓

Parameters Provided:

ring.id = 21784
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 = 21784 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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