UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine 4,6-dichloro-2-cyclopropyl-5-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) 2.66 5.53 -3.38 0 2 0 26 203.072 1 ↓

Analogs

20427062
20427062
8731064
8731064

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Popular Name: 4-tert-butyl-6-chloro-2-cyclopropyl-pyrimidine 4-tert-butyl-6-chloro-2-cyclopro…

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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) 3.43 7.01 -4.05 0 2 0 26 210.708 2 ↓

Analogs

8731064
8731064

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Popular Name: 4-chloro-2-cyclopropyl-6-ethyl-pyrimidine 4-chloro-2-cyclopropyl-6-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) 2.28 5.96 -4.57 0 2 0 26 182.654 2 ↓

Analogs

20427062
20427062
8731064
8731064

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Popular Name: 4-chloro-2-cyclopropyl-6-isopropyl-pyrimidine 4-chloro-2-cyclopropyl-6-isoprop…

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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) 2.76 6.43 -4.26 0 2 0 26 196.681 2 ↓

Analogs

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Popular Name: (2-cyclopropylpyrimidin-4-yl)methanamine (2-cyclopropylpyrimidin-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) -0.11 2.15 -46.9 3 3 1 53 150.205 2 ↓
Mid Mid (pH 6-8) -0.11 1.75 -5.42 2 3 0 52 149.197 2 ↓

Analogs

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Popular Name: 1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-methanamine 1-(2-cyclopropylpyrimidin-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) 0.26 4.02 -41.39 2 3 1 42 164.232 3 ↓
Mid Mid (pH 6-8) 0.26 2.58 -5.05 1 3 0 38 163.224 3 ↓

Analogs

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Popular Name: N-[(2-cyclopropylpyrimidin-4-yl)methyl]ethanamine N-[(2-cyclopropylpyrimidin-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) 0.64 4.88 -40.52 2 3 1 42 178.259 4 ↓
Hi High (pH 8-9.5) 0.64 3.51 -4.88 1 3 0 38 177.251 4 ↓

Analogs

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Popular Name: N-[(2-cyclopropylpyrimidin-4-yl)methyl]propan-1-amine N-[(2-cyclopropylpyrimidin-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) 1.14 5.63 -41.34 2 3 1 42 192.286 5 ↓
Hi High (pH 8-9.5) 1.14 4.28 -4.73 1 3 0 38 191.278 5 ↓

Analogs

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Popular Name: N-[(2-cyclopropylpyrimidin-4-yl)methyl]propan-2-amine N-[(2-cyclopropylpyrimidin-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) 0.94 5.41 -38.44 2 3 1 42 192.286 4 ↓
Hi High (pH 8-9.5) 0.94 4.19 -4.68 1 3 0 38 191.278 4 ↓

Analogs

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Popular Name: N-[(2-cyclopropylpyrimidin-4-yl)methyl]-2-methyl-propan-2-amine N-[(2-cyclopropylpyrimidin-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) 1.45 5.84 -36.86 2 3 1 42 206.313 4 ↓
Hi High (pH 8-9.5) 1.45 4.6 -4.51 1 3 0 38 205.305 4 ↓

Analogs

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Popular Name: N-[(2-cyclopropylpyrimidin-4-yl)methyl]-2-methyl-propan-1-amine N-[(2-cyclopropylpyrimidin-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) 1.38 6.33 -41.17 2 3 1 42 206.313 5 ↓
Hi High (pH 8-9.5) 1.38 5.11 -4.53 1 3 0 38 205.305 5 ↓

Analogs

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Popular Name: N-[(2-cyclopropylpyrimidin-4-yl)methyl]-2-methoxy-ethanamine N-[(2-cyclopropylpyrimidin-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) 0.25 4.02 -41.81 2 4 1 52 208.285 6 ↓
Mid Mid (pH 6-8) 0.25 2.67 -6.64 1 4 0 47 207.277 6 ↓

Analogs

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Popular Name: 2-cyclopropylpyrimidine-4-carboxylic acid 2-cyclopropylpyrimidine-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) 0.28 4.74 -48.26 0 4 -1 66 163.156 2 ↓

Analogs

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Popular Name: 2-(Cyclopropylpyrimidin-4-yl)methanol 2-(Cyclopropylpyrimidin-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) 0.04 1.6 -6.39 1 3 0 46 150.181 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-cyclopropyl-pyrimidine 4-(chloromethyl)-2-cyclopropyl-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) 1.28 5.37 -6.3 0 2 0 26 168.627 2 ↓

Analogs

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Popular Name: (2-cyclopropyl-6-methyl-pyrimidin-4-yl)methanol (2-cyclopropyl-6-methyl-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) 0.48 2.21 -6.74 1 3 0 46 164.208 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-6-methyl-pyrimidine-4-carbaldehyde 2-cyclopropyl-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) 0.93 4.5 -12.61 0 3 0 43 162.192 2 ↓

Analogs

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Popular Name: (2-cyclopropyl-6-methyl-pyrimidin-4-yl)methanamine (2-cyclopropyl-6-methyl-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) 0.33 2.75 -46.92 3 3 1 53 164.232 2 ↓
Mid Mid (pH 6-8) 0.33 2.34 -6.98 2 3 0 52 163.224 2 ↓

Analogs

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Popular Name: 1-(2-cyclopropyl-6-methyl-pyrimidin-4-yl)-N-methyl-methanamine 1-(2-cyclopropyl-6-methyl-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) 0.70 4.62 -41.32 2 3 1 42 178.259 3 ↓
Mid Mid (pH 6-8) 0.70 3.18 -6.42 1 3 0 38 177.251 3 ↓

Analogs

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Popular Name: N-[(2-cyclopropyl-6-methyl-pyrimidin-4-yl)methyl]ethanamine N-[(2-cyclopropyl-6-methyl-pyrim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.08 5.49 -40.44 2 3 1 42 192.286 4 ↓
Hi High (pH 8-9.5) 1.08 4.12 -5.07 1 3 0 38 191.278 4 ↓

Analogs

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Popular Name: N-[(2-cyclopropyl-6-methyl-pyrimidin-4-yl)methyl]propan-1-amine N-[(2-cyclopropyl-6-methyl-pyrim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.58 6.24 -41.28 2 3 1 42 206.313 5 ↓
Hi High (pH 8-9.5) 1.58 4.88 -4.92 1 3 0 38 205.305 5 ↓

Analogs

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Popular Name: N-[(2-cyclopropyl-6-methyl-pyrimidin-4-yl)methyl]propan-2-amine N-[(2-cyclopropyl-6-methyl-pyrim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.38 6.01 -39 2 3 1 42 206.313 4 ↓
Hi High (pH 8-9.5) 1.38 4.81 -5.95 1 3 0 38 205.305 4 ↓

Analogs

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Popular Name: N-[(2-cyclopropyl-6-methyl-pyrimidin-4-yl)methyl]-2-methyl-propan-2-amine N-[(2-cyclopropyl-6-methyl-pyrim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 6.43 -36.69 2 3 1 42 220.34 4 ↓
Hi High (pH 8-9.5) 1.89 5.2 -5.85 1 3 0 38 219.332 4 ↓

Analogs

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Popular Name: N-[(2-cyclopropyl-6-methyl-pyrimidin-4-yl)methyl]-2-methyl-propan-1-amine N-[(2-cyclopropyl-6-methyl-pyrim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 6.93 -41.07 2 3 1 42 220.34 5 ↓
Hi High (pH 8-9.5) 1.82 5.56 -5.91 1 3 0 38 219.332 5 ↓

Analogs

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Popular Name: N-[(2-cyclopropyl-6-methyl-pyrimidin-4-yl)methyl]-2-methoxy-ethanamine N-[(2-cyclopropyl-6-methyl-pyrim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.69 4.62 -41.76 2 4 1 52 222.312 6 ↓
Mid Mid (pH 6-8) 0.69 3.19 -8.59 1 4 0 47 221.304 6 ↓

Analogs

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Popular Name: 2-cyclopropyl-6-methyl-pyrimidine-4-carboxylic 2-cyclopropyl-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) 0.72 5.34 -48.76 0 4 -1 66 177.183 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-cyclopropyl-6-methyl-pyrimidine 4-(chloromethyl)-2-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) 1.72 5.97 -6.35 0 2 0 26 182.654 2 ↓

Analogs

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Popular Name: 2-(2-cyclopropylpyrimidin-4-yl)ethanamine 2-(2-cyclopropylpyrimidin-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) -0.31 2.9 -49.06 3 3 1 53 164.232 3 ↓

Analogs

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Popular Name: 2-(2-cyclopropyl-6-methyl-pyrimidin-4-yl)ethanamine 2-(2-cyclopropyl-6-methyl-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) 0.13 3.56 -47.63 3 3 1 53 178.259 3 ↓

Analogs

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Popular Name: (2S)-1-(2-cyclopropylpyrimidin-4-yl)propan-2-amine (2S)-1-(2-cyclopropylpyrimidin-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) 0.09 3.66 -39.12 3 3 1 53 178.259 3 ↓

Analogs

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Popular Name: (2R)-1-(2-cyclopropylpyrimidin-4-yl)propan-2-amine (2R)-1-(2-cyclopropylpyrimidin-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) 0.09 3.61 -46.12 3 3 1 53 178.259 3 ↓

Analogs

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Popular Name: (2S)-1-(2-cyclopropylpyrimidin-4-yl)butan-2-amine (2S)-1-(2-cyclopropylpyrimidin-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) 0.62 4.48 -38.77 3 3 1 53 192.286 4 ↓

Analogs

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Popular Name: (2R)-1-(2-cyclopropylpyrimidin-4-yl)butan-2-amine (2R)-1-(2-cyclopropylpyrimidin-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) 0.62 4.42 -46.06 3 3 1 53 192.286 4 ↓

Analogs

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Popular Name: (2R)-1-(2-cyclopropyl-6-methyl-pyrimidin-4-yl)propan-2-amine (2R)-1-(2-cyclopropyl-6-methyl-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.53 4.2 -41.37 3 3 1 53 192.286 3 ↓

Analogs

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Popular Name: (2S)-1-(2-cyclopropyl-6-methyl-pyrimidin-4-yl)propan-2-amine (2S)-1-(2-cyclopropyl-6-methyl-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.53 4.92 -36.99 3 3 1 53 192.286 3 ↓

Analogs

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Popular Name: (2S)-1-(2-cyclopropyl-6-methyl-pyrimidin-4-yl)butan-2-amine (2S)-1-(2-cyclopropyl-6-methyl-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.06 5.74 -36.82 3 3 1 53 206.313 4 ↓

Analogs

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Popular Name: (2R)-1-(2-cyclopropyl-6-methyl-pyrimidin-4-yl)butan-2-amine (2R)-1-(2-cyclopropyl-6-methyl-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.06 5.03 -41.42 3 3 1 53 206.313 4 ↓

Analogs

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Popular Name: 2-cyclopropyl-4,6-dimethyl-pyrimidine-5-carboxylic 2-cyclopropyl-4,6-dimethyl-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) 0.63 5.99 -44.64 0 4 -1 66 191.21 2 ↓

Analogs

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Popular Name: 3-(2-cyclopropyl-4,6-dimethyl-pyrimidin-5-yl)propan-1-amine 3-(2-cyclopropyl-4,6-dimethyl-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) 0.56 4.74 -51.98 3 3 1 53 206.313 4 ↓

Analogs

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Popular Name: 2-(2-cyclopropyl-4,6-dimethyl-pyrimidin-5-yl)ethanamine 2-(2-cyclopropyl-4,6-dimethyl-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) 0.04 3.95 -54.36 3 3 1 53 192.286 3 ↓

Analogs

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Popular Name: (2-cyclopropyl-4,6-dimethyl-pyrimidin-5-yl)methanamine (2-cyclopropyl-4,6-dimethyl-pyri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.24 3.15 -51.87 3 3 1 53 178.259 2 ↓
Mid Mid (pH 6-8) 0.24 2.75 -6.4 2 3 0 52 177.251 2 ↓

Analogs

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Popular Name: (2R)-2-(2-cyclopropyl-4,6-dimethyl-pyrimidin-5-yl)propan-1-amine (2R)-2-(2-cyclopropyl-4,6-dimeth…

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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) 0.36 4.23 -53.8 3 3 1 53 206.313 3 ↓

Analogs

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Popular Name: (2S)-2-(2-cyclopropyl-4,6-dimethyl-pyrimidin-5-yl)propan-1-amine (2S)-2-(2-cyclopropyl-4,6-dimeth…

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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) 0.36 4.21 -53.75 3 3 1 53 206.313 3 ↓

Analogs

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Popular Name: 3-(2-cyclopropyl-4,6-dimethyl-pyrimidin-5-yl)-N-methyl-propan-1-amine 3-(2-cyclopropyl-4,6-dimethyl-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) 1.54 6.61 -47.16 2 3 1 42 220.34 5 ↓

Analogs

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Popular Name: 3-(2-cyclopropyl-4,6-dimethyl-pyrimidin-5-yl)-N-isopropyl-propan-1-amine 3-(2-cyclopropyl-4,6-dimethyl-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) 2.21 8 -45.55 2 3 1 42 248.394 6 ↓

Analogs

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Popular Name: 3-(2-cyclopropyl-4,6-dimethyl-pyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine 3-(2-cyclopropyl-4,6-dimethyl-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) 1.17 6.6 -47.06 2 4 1 52 264.393 8 ↓

Analogs

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Popular Name: 2-(2-cyclopropyl-4,6-dimethyl-pyrimidin-5-yl)-N-methyl-ethanamine 2-(2-cyclopropyl-4,6-dimethyl-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) 1.02 5.82 -49.23 2 3 1 42 206.313 4 ↓

Analogs

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Popular Name: 2-(2-cyclopropyl-4,6-dimethyl-pyrimidin-5-yl)-N-ethyl-ethanamine 2-(2-cyclopropyl-4,6-dimethyl-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) 1.04 6.65 -48.36 2 3 1 42 220.34 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-cyclopropyl-4,6-dimethyl-pyrimidin-5-yl)ethyl]propan-1-amine N-[2-(2-cyclopropyl-4,6-dimethyl…

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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) 1.55 7.4 -49.45 2 3 1 42 234.367 6 ↓

Analogs

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Popular Name: N-[2-(2-cyclopropyl-4,6-dimethyl-pyrimidin-5-yl)ethyl]propan-2-amine N-[2-(2-cyclopropyl-4,6-dimethyl…

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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 7.21 -47.07 2 3 1 42 234.367 5 ↓

Parameters Provided:

ring.id = 75951
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 = 75951 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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