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Analogs

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Popular Name: (2R)-N-[2-(2-hydroxyethoxy)ethyl]-1-pyrimidin-2-yl-pyrrolidine-2-carboxamide (2R)-N-[2-(2-hydroxyethoxy)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) -0.49 2 -18.23 2 7 0 88 280.328 7 ↓

Analogs

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Popular Name: (2S)-N-[2-(2-hydroxyethoxy)ethyl]-1-pyrimidin-2-yl-pyrrolidine-2-carboxamide (2S)-N-[2-(2-hydroxyethoxy)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) -0.49 2 -17.21 2 7 0 88 280.328 7 ↓

Analogs

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Popular Name: (1-(pyrimidin-2-yl)pyrrolidin-2-yl)methanamine (1-(pyrimidin-2-yl)pyrrolidin-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) -0.05 4.2 -44.95 3 4 1 57 179.247 2 ↓

Analogs

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Popular Name: (1-(pyrimidin-2-yl)pyrrolidin-2-yl)methanamine (1-(pyrimidin-2-yl)pyrrolidin-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) -0.05 4.19 -44.93 3 4 1 57 179.247 2 ↓

Analogs

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Popular Name: [(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine [(2R)-1-(4-methoxypyrimidin-2-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) 0.35 2.71 -46.45 3 5 1 66 209.273 3 ↓
Lo Low (pH 4.5-6) 0.35 1.78 -97.45 4 5 2 67 210.281 3 ↓

Analogs

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Popular Name: [(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine [(2S)-1-(4-methoxypyrimidin-2-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) 0.35 2.71 -46.44 3 5 1 66 209.273 3 ↓
Lo Low (pH 4.5-6) 0.35 1.76 -97.45 4 5 2 67 210.281 3 ↓

Analogs

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Popular Name: (2S,3S)-3-hydroxy-2-[[(2S)-1-pyrimidin-2-ylpyrrolidine-2-carbonyl]amino]butanoic (2S,3S)-3-hydroxy-2-[[(2S)-1-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) -2.24 3.67 -66.41 2 8 -1 118 293.303 5 ↓

Analogs

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Popular Name: (2S,3R)-3-hydroxy-2-[[(2S)-1-pyrimidin-2-ylpyrrolidine-2-carbonyl]amino]butanoic (2S,3R)-3-hydroxy-2-[[(2S)-1-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) -2.24 3.8 -64.06 2 8 -1 118 293.303 5 ↓

Analogs

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Popular Name: (2R,3S)-3-hydroxy-2-[[(2S)-1-pyrimidin-2-ylpyrrolidine-2-carbonyl]amino]butanoic (2R,3S)-3-hydroxy-2-[[(2S)-1-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) -2.24 3.85 -67.17 2 8 -1 118 293.303 5 ↓

Analogs

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Popular Name: (2R,3R)-3-hydroxy-2-[[(2S)-1-pyrimidin-2-ylpyrrolidine-2-carbonyl]amino]butanoic (2R,3R)-3-hydroxy-2-[[(2S)-1-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) -2.24 4.27 -69.05 2 8 -1 118 293.303 5 ↓

Analogs

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Popular Name: (2S)-3-hydroxy-2-[[(2R)-1-pyrimidin-2-ylpyrrolidine-2-carbonyl]amino]propanoic (2S)-3-hydroxy-2-[[(2R)-1-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) -2.60 2.77 -67.3 2 8 -1 118 279.276 5 ↓

Analogs

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Popular Name: (2S)-3-hydroxy-2-[[(2S)-1-pyrimidin-2-ylpyrrolidine-2-carbonyl]amino]propanoic (2S)-3-hydroxy-2-[[(2S)-1-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) -2.60 2.75 -63.24 2 8 -1 118 279.276 5 ↓

Analogs

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Popular Name: 2-Pyrrolidin-1-yl-pyrimidine-4-carbaldehyde 2-Pyrrolidin-1-yl-pyrimidine-4-c…

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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) 1.40 5.8 -14.14 0 4 0 46 177.207 2 ↓

Analogs

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Popular Name: [2-(pyrrolidin-1-yl)pyrimidin-4-yl]methanamine [2-(pyrrolidin-1-yl)pyrimidin-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) 0.80 4.05 -46.61 3 4 1 57 179.247 2 ↓
Mid Mid (pH 6-8) 0.80 3.65 -6.74 2 4 0 55 178.239 2 ↓

Analogs

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Popular Name: N-methyl-1-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanamine N-methyl-1-(2-pyrrolidin-1-ylpyr…

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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 5.92 -41.13 2 4 1 46 193.274 3 ↓
Mid Mid (pH 6-8) 1.17 4.48 -6.43 1 4 0 41 192.266 3 ↓

Analogs

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Popular Name: N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]ethanamine N-[(2-pyrrolidin-1-ylpyrimidin-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) 1.55 6.78 -40.19 2 4 1 46 207.301 4 ↓
Hi High (pH 8-9.5) 1.55 5.41 -6.23 1 4 0 41 206.293 4 ↓

Analogs

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Popular Name: N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine N-[(2-pyrrolidin-1-ylpyrimidin-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) 2.05 7.54 -40.93 2 4 1 46 221.328 5 ↓
Hi High (pH 8-9.5) 2.05 6.18 -6.05 1 4 0 41 220.32 5 ↓

Analogs

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Popular Name: N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine N-[(2-pyrrolidin-1-ylpyrimidin-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 7.32 -38.76 2 4 1 46 221.328 4 ↓
Hi High (pH 8-9.5) 1.85 6.11 -6.01 1 4 0 41 220.32 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine 2-methyl-N-[(2-pyrrolidin-1-ylpy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.36 7.74 -36.46 2 4 1 46 235.355 4 ↓
Hi High (pH 8-9.5) 2.36 6.5 -5.91 1 4 0 41 234.347 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine 2-methyl-N-[(2-pyrrolidin-1-ylpy…

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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) 2.29 8.23 -40.73 2 4 1 46 235.355 5 ↓
Hi High (pH 8-9.5) 2.29 7.01 -5.91 1 4 0 41 234.347 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]ethanamine 2-methoxy-N-[(2-pyrrolidin-1-ylp…

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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 5.92 -41.36 2 5 1 55 237.327 6 ↓
Mid Mid (pH 6-8) 1.16 4.57 -7.92 1 5 0 50 236.319 6 ↓

Analogs

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Popular Name: (2-pyrrolidin-1-ylpyrimidin-4-yl)methanol (2-pyrrolidin-1-ylpyrimidin-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) 0.95 3.5 -7.97 1 4 0 49 179.223 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-pyrrolidin-1-yl-pyrimidine 4-(chloromethyl)-2-pyrrolidin-1-…

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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) 2.19 7.28 -7.55 0 3 0 29 197.669 2 ↓

Analogs

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Popular Name: 6-methyl-2-pyrrolidin-1-yl-pyrimidine-4-carbaldehyde 6-methyl-2-pyrrolidin-1-yl-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) 1.84 6.41 -13.9 0 4 0 46 191.234 2 ↓

Analogs

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Popular Name: N-methyl-1-(6-methyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)methanamine N-methyl-1-(6-methyl-2-pyrrolidi…

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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) 1.61 6.53 -41.21 2 4 1 46 207.301 3 ↓
Mid Mid (pH 6-8) 1.61 5.09 -7.86 1 4 0 41 206.293 3 ↓

Analogs

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Popular Name: N-[(6-methyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)methyl]ethanamine N-[(6-methyl-2-pyrrolidin-1-yl-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) 1.99 7.39 -40.32 2 4 1 46 221.328 4 ↓
Hi High (pH 8-9.5) 1.99 6.02 -6.52 1 4 0 41 220.32 4 ↓

Analogs

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Popular Name: N-[(6-methyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)methyl]propan-1-amine N-[(6-methyl-2-pyrrolidin-1-yl-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) 2.49 8.14 -41 2 4 1 46 235.355 5 ↓
Hi High (pH 8-9.5) 2.49 6.78 -6.35 1 4 0 41 234.347 5 ↓

Analogs

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Popular Name: N-[(6-methyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)methyl]propan-2-amine N-[(6-methyl-2-pyrrolidin-1-yl-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) 2.29 7.91 -38.77 2 4 1 46 235.355 4 ↓
Hi High (pH 8-9.5) 2.29 6.69 -7.57 1 4 0 41 234.347 4 ↓

Analogs

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

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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) 2.80 8.34 -36.43 2 4 1 46 249.382 4 ↓
Hi High (pH 8-9.5) 2.80 7.11 -7.32 1 4 0 41 248.374 4 ↓

Analogs

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

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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 8.84 -40.74 2 4 1 46 249.382 5 ↓
Hi High (pH 8-9.5) 2.73 7.61 -7.32 1 4 0 41 248.374 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[(6-methyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)methyl]ethanamine 2-methoxy-N-[(6-methyl-2-pyrroli…

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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) 1.60 6.52 -41.42 2 5 1 55 251.354 6 ↓
Mid Mid (pH 6-8) 1.60 5.1 -10.03 1 5 0 50 250.346 6 ↓

Analogs

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Popular Name: 4-(chloromethyl)-6-methyl-2-pyrrolidin-1-yl-pyrimidine 4-(chloromethyl)-6-methyl-2-pyrr…

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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) 2.63 7.88 -7.68 0 3 0 29 211.696 2 ↓

Analogs

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Popular Name: 2-(2-pyrrolidin-1-ylpyrimidin-4-yl)ethanamine 2-(2-pyrrolidin-1-ylpyrimidin-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) 0.60 4.87 -48.03 3 4 1 57 193.274 3 ↓

Analogs

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Popular Name: (2S)-1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-amine (2S)-1-(2-pyrrolidin-1-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) 1.00 6.25 -37.55 3 4 1 57 207.301 3 ↓

Analogs

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Popular Name: (2R)-1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-amine (2R)-1-(2-pyrrolidin-1-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) 1.00 5.52 -41.25 3 4 1 57 207.301 3 ↓

Analogs

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Popular Name: (2S)-1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine (2S)-1-(2-pyrrolidin-1-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) 1.53 7.06 -37.33 3 4 1 57 221.328 4 ↓

Analogs

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Popular Name: (2R)-1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine (2R)-1-(2-pyrrolidin-1-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) 1.53 6.33 -41.19 3 4 1 57 221.328 4 ↓

Analogs

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

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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) 1.44 6.12 -41.26 3 4 1 57 221.328 3 ↓

Analogs

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

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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) 1.44 6.85 -37.71 3 4 1 57 221.328 3 ↓

Analogs

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

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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 7.66 -37.46 3 4 1 57 235.355 4 ↓

Analogs

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

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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 6.93 -41.3 3 4 1 57 235.355 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-pyrrolidin-1-yl-pyrimidine-5-carboxylic 4,6-dimethyl-2-pyrrolidin-1-yl-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) 1.54 7.9 -48.08 0 5 -1 69 220.252 2 ↓
Lo Low (pH 4.5-6) 1.54 8.28 -34.93 1 5 0 70 221.26 2 ↓

Analogs

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Popular Name: 3-(4,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-5-yl)propan-1-amine 3-(4,6-dimethyl-2-pyrrolidin-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.47 6.64 -52.17 3 4 1 57 235.355 4 ↓
Lo Low (pH 4.5-6) 1.47 7.01 -88.43 4 4 2 58 236.363 4 ↓

Analogs

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Popular Name: 2-(4,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-5-yl)ethanamine 2-(4,6-dimethyl-2-pyrrolidin-1-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) 0.95 5.85 -54.13 3 4 1 57 221.328 3 ↓

Analogs

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Popular Name: 3-(4,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-5-yl)-N-methyl-propan-1-amine 3-(4,6-dimethyl-2-pyrrolidin-1-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) 2.45 8.52 -47.39 2 4 1 46 249.382 5 ↓
Lo Low (pH 4.5-6) 2.45 8.88 -84.36 3 4 2 47 250.39 5 ↓

Analogs

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Popular Name: 3-(4,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-5-yl)-N-ethyl-propan-1-amine 3-(4,6-dimethyl-2-pyrrolidin-1-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) 2.47 9.33 -47.05 2 4 1 46 263.409 6 ↓
Lo Low (pH 4.5-6) 2.47 9.69 -84.7 3 4 2 47 264.417 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-5-yl)-N-propyl-propan-1-amine 3-(4,6-dimethyl-2-pyrrolidin-1-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) 2.97 10.08 -48.02 2 4 1 46 277.436 7 ↓
Lo Low (pH 4.5-6) 2.97 10.44 -86.31 3 4 2 47 278.444 7 ↓

Analogs

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Popular Name: 3-(4,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-5-yl)-N-isopropyl-propan-1-amine 3-(4,6-dimethyl-2-pyrrolidin-1-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) 3.12 9.9 -45.72 2 4 1 46 277.436 6 ↓
Lo Low (pH 4.5-6) 3.12 10.26 -84.05 3 4 2 47 278.444 6 ↓

Analogs

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Popular Name: N-[3-(4,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-5-yl)propyl]-2-methyl-propan-2-amine N-[3-(4,6-dimethyl-2-pyrrolidin-…

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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) 3.63 10.33 -44.45 2 4 1 46 291.463 6 ↓
Lo Low (pH 4.5-6) 3.63 10.69 -83.39 3 4 2 47 292.471 6 ↓

Analogs

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Popular Name: N-[3-(4,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-5-yl)propyl]-2-methyl-propan-1-amine N-[3-(4,6-dimethyl-2-pyrrolidin-…

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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) 3.22 10.81 -48 2 4 1 46 291.463 7 ↓
Lo Low (pH 4.5-6) 3.22 11.17 -86.91 3 4 2 47 292.471 7 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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