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

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Popular Name: N-(pyrimidin-5-ylmethyl)cyclopropanamine N-(pyrimidin-5-ylmethyl)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) -0.25 3.99 -42.28 2 3 1 42 150.205 3 ↓
Hi High (pH 8-9.5) -0.25 2.69 -4.3 1 3 0 38 149.197 3 ↓

Analogs

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Popular Name: (1S)-2,2-dimethyl-N-(pyrimidin-5-ylmethyl)cyclopropanamine (1S)-2,2-dimethyl-N-(pyrimidin-5…

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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) 0.32 5.4 -42.44 2 3 1 42 178.259 3 ↓
Hi High (pH 8-9.5) 0.32 4.04 -4.07 1 3 0 38 177.251 3 ↓

Analogs

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Popular Name: (1R)-2,2-dimethyl-N-(pyrimidin-5-ylmethyl)cyclopropanamine (1R)-2,2-dimethyl-N-(pyrimidin-5…

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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) 0.32 5.4 -42.43 2 3 1 42 178.259 3 ↓
Hi High (pH 8-9.5) 0.32 4.14 -4.11 1 3 0 38 177.251 3 ↓

Analogs

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Popular Name: (1S,2R)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclopropanamine (1S,2R)-2-methyl-N-(pyrimidin-5-…

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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 4.91 -42.13 2 3 1 42 164.232 3 ↓
Hi High (pH 8-9.5) 0.36 3.53 -4.17 1 3 0 38 163.224 3 ↓

Analogs

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Popular Name: (1S,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclopropanamine (1S,2S)-2-methyl-N-(pyrimidin-5-…

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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 4.66 -42.76 2 3 1 42 164.232 3 ↓
Hi High (pH 8-9.5) 0.36 3.36 -4.18 1 3 0 38 163.224 3 ↓

Analogs

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Popular Name: (1R,2R)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclopropanamine (1R,2R)-2-methyl-N-(pyrimidin-5-…

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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 4.66 -42.75 2 3 1 42 164.232 3 ↓
Hi High (pH 8-9.5) 0.36 3.36 -4.23 1 3 0 38 163.224 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclopropanamine (1R,2S)-2-methyl-N-(pyrimidin-5-…

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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 4.91 -42.12 2 3 1 42 164.232 3 ↓
Hi High (pH 8-9.5) 0.36 3.63 -4.16 1 3 0 38 163.224 3 ↓

Analogs

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Popular Name: N-[[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine N-[[4,6-dimethyl-2-(methylsulfan…

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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) 1.13 5.97 -44.21 2 3 1 42 238.38 5 ↓
Mid Mid (pH 6-8) 1.13 4.68 -6.89 1 3 0 38 237.372 5 ↓

Analogs

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Popular Name: N-[[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine N-[[4,6-dimethyl-2-(methylsulfon…

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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) 0.00 2.3 -52.63 2 5 1 77 270.378 5 ↓
Mid Mid (pH 6-8) 0.00 1.01 -17.76 1 5 0 72 269.37 5 ↓

Analogs

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Popular Name: N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]cyclopropanamine N-[(2,4,6-trimethylpyrimidin-5-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) 0.61 4.92 -42.71 2 3 1 42 192.286 3 ↓
Hi High (pH 8-9.5) 0.61 3.63 -5.4 1 3 0 38 191.278 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-ethyl-4,6-dimethyl-pyrimidin-5-yl)methyl]cyclopropanamine N-[(2-ethyl-4,6-dimethyl-pyrimid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.19 5.53 -42.58 2 3 1 42 206.313 4 ↓
Hi High (pH 8-9.5) 1.19 4.23 -5.25 1 3 0 38 205.305 4 ↓

Analogs

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Popular Name: N-[[2-(2-diethylaminoethyl)-4,6-dimethyl-pyrimidin-5-yl]methyl]cyclopropanamine N-[[2-(2-diethylaminoethyl)-4,6-…

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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) 1.59 8.2 -84.04 3 4 2 47 278.444 8 ↓
Hi High (pH 8-9.5) 1.59 4.74 -4.9 1 4 0 41 276.428 8 ↓
Mid Mid (pH 6-8) 1.59 6.9 -31.81 2 4 1 42 277.436 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-isobutyl-4,6-dimethyl-pyrimidin-5-yl)methyl]cyclopropanamine N-[(2-isobutyl-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) 1.93 6.91 -42 2 3 1 42 234.367 5 ↓
Hi High (pH 8-9.5) 1.93 5.61 -4.8 1 3 0 38 233.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-isopropyl-4,6-dimethyl-pyrimidin-5-yl)methyl]cyclopropanamine N-[(2-isopropyl-4,6-dimethyl-pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 6.12 -42.38 2 3 1 42 220.34 4 ↓
Hi High (pH 8-9.5) 1.67 4.82 -5.13 1 3 0 38 219.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-tert-butyl-4,6-dimethyl-pyrimidin-5-yl)methyl]cyclopropanamine N-[(2-tert-butyl-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) 2.34 6.87 -41.97 2 3 1 42 234.367 4 ↓
Hi High (pH 8-9.5) 2.34 5.58 -4.94 1 3 0 38 233.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4,6-dimethyl-2-propyl-pyrimidin-5-yl)methyl]cyclopropanamine N-[(4,6-dimethyl-2-propyl-pyrimi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.69 6.31 -42.5 2 3 1 42 220.34 5 ↓
Hi High (pH 8-9.5) 1.69 5.01 -5.09 1 3 0 38 219.332 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4,6-dimethylpyrimidin-5-yl)methyl]cyclopropanamine N-[(4,6-dimethylpyrimidin-5-yl)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) 0.53 4.97 -42.56 2 3 1 42 178.259 3 ↓
Mid Mid (pH 6-8) 0.53 3.67 -4.9 1 3 0 38 177.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(cyclopropylamino)methyl]-N,N-diethyl-4,6-dimethyl-pyrimidin-2-amine 5-[(cyclopropylamino)methyl]-N,N…

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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) 2.24 9.37 -40.75 2 4 1 46 249.382 6 ↓
Hi High (pH 8-9.5) 2.24 8.07 -5.81 1 4 0 41 248.374 6 ↓
Lo Low (pH 4.5-6) 2.24 9.67 -92.58 3 4 2 47 250.39 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(cyclopropylamino)methyl]-N,N,4,6-tetramethyl-pyrimidin-2-amine 5-[(cyclopropylamino)methyl]-N,N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.49 7.45 -41.94 2 4 1 46 221.328 4 ↓
Hi High (pH 8-9.5) 1.49 6.22 -6.22 1 4 0 41 220.32 4 ↓
Lo Low (pH 4.5-6) 1.49 7.76 -92.69 3 4 2 47 222.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-methoxyethyl)-4,6-dimethyl-pyrimidin-5-yl]methyl]cyclopropanamine N-[[2-(2-methoxyethyl)-4,6-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) 0.79 4.6 -44.79 2 4 1 52 236.339 6 ↓
Hi High (pH 8-9.5) 0.79 3.3 -5.77 1 4 0 47 235.331 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine N-[[4,6-dimethyl-2-(2,2,2-triflu…

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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) 1.74 5.81 -45 2 3 1 42 260.283 5 ↓
Mid Mid (pH 6-8) 1.74 4.51 -6.38 1 3 0 38 259.275 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-isopentyl-4,6-dimethyl-pyrimidin-5-yl)methyl]cyclopropanamine N-[(2-isopentyl-4,6-dimethyl-pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 7.59 -42.37 2 3 1 42 248.394 6 ↓
Hi High (pH 8-9.5) 2.46 6.3 -4.9 1 3 0 38 247.386 6 ↓

Analogs

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Popular Name: N-[[2-(methoxymethyl)-4,6-dimethyl-pyrimidin-5-yl]methyl]cyclopropanamine N-[[2-(methoxymethyl)-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) 0.58 3.89 -45.11 2 4 1 52 222.312 5 ↓
Mid Mid (pH 6-8) 0.58 2.59 -7.37 1 4 0 47 221.304 5 ↓

Analogs

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Popular Name: N-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]cyclopropanamine N-[[4,6-dimethyl-2-(propoxymethy…

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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 5.65 -44.69 2 4 1 52 250.366 7 ↓
Mid Mid (pH 6-8) 1.46 4.36 -7.06 1 4 0 47 249.358 7 ↓

Analogs

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Popular Name: N-[(2-propylpyrimidin-5-yl)methyl]cyclopropanamine N-[(2-propylpyrimidin-5-yl)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) 0.92 5.34 -42.38 2 3 1 42 192.286 5 ↓
Hi High (pH 8-9.5) 0.92 4.05 -4.39 1 3 0 38 191.278 5 ↓

Analogs

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Popular Name: 2-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]acetamide 2-[5-[(cyclopropylamino)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) -1.23 0.44 -46.87 4 5 1 85 207.257 5 ↓
Hi High (pH 8-9.5) -1.23 -0.85 -12.28 3 5 0 81 206.249 5 ↓

Analogs

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Popular Name: N-[(2-tert-butylpyrimidin-5-yl)methyl]cyclopropanamine N-[(2-tert-butylpyrimidin-5-yl)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) 1.56 5.93 -42.03 2 3 1 42 206.313 4 ↓
Hi High (pH 8-9.5) 1.56 4.64 -4.32 1 3 0 38 205.305 4 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N,N-diethyl-pyrimidin-2-amine 5-[(cyclopropylamino)methyl]-N,N…

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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 8.42 -40.55 2 4 1 46 221.328 6 ↓
Hi High (pH 8-9.5) 1.46 7.12 -5.14 1 4 0 41 220.32 6 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N,N-dimethyl-pyrimidin-2-amine 5-[(cyclopropylamino)methyl]-N,N…

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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) 0.71 6.41 -41.69 2 4 1 46 193.274 4 ↓
Hi High (pH 8-9.5) 0.71 5.21 -5.67 1 4 0 41 192.266 4 ↓

Analogs

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Popular Name: N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine N-[[2-(methylsulfanylmethyl)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) 0.35 5.01 -44.31 2 3 1 42 210.326 5 ↓
Hi High (pH 8-9.5) 0.35 3.71 -6.25 1 3 0 38 209.318 5 ↓

Analogs

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Popular Name: N-[(2-ethylpyrimidin-5-yl)methyl]cyclopropanamine N-[(2-ethylpyrimidin-5-yl)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) 0.41 4.56 -42.42 2 3 1 42 178.259 4 ↓
Hi High (pH 8-9.5) 0.41 3.27 -4.53 1 3 0 38 177.251 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-isopropylpyrimidin-5-yl)methyl]cyclopropanamine N-[(2-isopropylpyrimidin-5-yl)me…

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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) 0.90 5.15 -42.29 2 3 1 42 192.286 4 ↓
Hi High (pH 8-9.5) 0.90 3.86 -4.49 1 3 0 38 191.278 4 ↓

Analogs

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Popular Name: N-[[2-(2-diethylaminoethyl)pyrimidin-5-yl]methyl]cyclopropanamine N-[[2-(2-diethylaminoethyl)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) 0.82 7.23 -85.35 3 4 2 47 250.39 8 ↓
Hi High (pH 8-9.5) 0.82 5.11 -42.97 2 4 1 46 249.382 8 ↓
Hi High (pH 8-9.5) 0.82 3.77 -4.31 1 4 0 41 248.374 8 ↓

Analogs

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Popular Name: N-[(2-isobutylpyrimidin-5-yl)methyl]cyclopropanamine N-[(2-isobutylpyrimidin-5-yl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.16 5.95 -42.02 2 3 1 42 206.313 5 ↓
Hi High (pH 8-9.5) 1.16 4.65 -4.2 1 3 0 38 205.305 5 ↓

Analogs

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Popular Name: N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]cyclopropanamine N-[[2-(2-methoxyethyl)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) 0.02 3.63 -44.85 2 4 1 52 208.285 6 ↓
Hi High (pH 8-9.5) 0.02 2.34 -5.22 1 4 0 47 207.277 6 ↓

Analogs

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Popular Name: N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine N-[[2-(2,2,2-trifluoroethyl)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) 0.96 4.84 -45.33 2 3 1 42 232.229 5 ↓
Hi High (pH 8-9.5) 0.96 3.55 -6 1 3 0 38 231.221 5 ↓

Analogs

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Popular Name: N-[(2-isopentylpyrimidin-5-yl)methyl]cyclopropanamine N-[(2-isopentylpyrimidin-5-yl)me…

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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 6.63 -42.27 2 3 1 42 220.34 6 ↓
Hi High (pH 8-9.5) 1.69 5.34 -4.21 1 3 0 38 219.332 6 ↓

Analogs

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Popular Name: N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]cyclopropanamine N-[[2-(methoxymethyl)pyrimidin-5…

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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) -0.19 2.92 -45.01 2 4 1 52 194.258 5 ↓
Hi High (pH 8-9.5) -0.19 1.63 -6.69 1 4 0 47 193.25 5 ↓

Analogs

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Popular Name: N-[[2-(propoxymethyl)pyrimidin-5-yl]methyl]cyclopropanamine N-[[2-(propoxymethyl)pyrimidin-5…

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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 4.69 -44.67 2 4 1 52 222.312 7 ↓
Hi High (pH 8-9.5) 0.69 3.4 -6.41 1 4 0 47 221.304 7 ↓

Analogs

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Popular Name: N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine N-[[2-(methylsulfonylmethyl)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) -0.77 1.34 -52.59 2 5 1 77 242.324 5 ↓
Hi High (pH 8-9.5) -0.77 0.04 -17.01 1 5 0 72 241.316 5 ↓

Analogs

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Popular Name: N-[[2-(2,2-dimethylpropyl)-4,6-dimethyl-pyrimidin-5-yl]methyl]cyclopropanamine N-[[2-(2,2-dimethylpropyl)-4,6-d…

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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) 2.51 7.35 -41.51 2 3 1 42 248.394 5 ↓
Hi High (pH 8-9.5) 2.51 6.05 -4.47 1 3 0 38 247.386 5 ↓

Parameters Provided:

ring.id = 153158
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 = 153158 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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