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Analogs

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Popular Name: 4-chloro-2-pyrimidin-4-yl-pyrimidine 4-chloro-2-pyrimidin-4-yl-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) 0.88 4.15 -10.21 0 4 0 52 192.609 1 ↓

Analogs

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Popular Name: 4-chloro-5,6-dimethyl-2-pyrimidin-4-yl-pyrimidine 4-chloro-5,6-dimethyl-2-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) 1.70 5.23 -8.84 0 4 0 52 220.663 1 ↓

Analogs

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Popular Name: 4,6-dichloro-5-propyl-2-pyrimidin-4-yl-pyrimidine 4,6-dichloro-5-propyl-2-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) 3.13 6.6 -6.38 0 4 0 52 269.135 3 ↓

Analogs

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Popular Name: 4,6-dichloro-5-isopropyl-2-pyrimidin-4-yl-pyrimidine 4,6-dichloro-5-isopropyl-2-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) 2.87 6.11 -6.36 0 4 0 52 269.135 2 ↓

Analogs

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Popular Name: N-ethyl-6-methyl-2-pyrimidin-4-yl-pyrimidin-4-amine N-ethyl-6-methyl-2-pyrimidin-4-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) 0.88 4.83 -9.95 1 5 0 64 215.26 3 ↓
Mid Mid (pH 6-8) 0.88 5.36 -26 2 5 1 65 216.268 3 ↓

Analogs

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Popular Name: 6-tert-butyl-N-methyl-2-pyrimidin-4-yl-pyrimidin-4-amine 6-tert-butyl-N-methyl-2-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) 2.23 5.99 -10.02 1 5 0 64 243.314 3 ↓
Mid Mid (pH 6-8) 2.23 6.32 -23.96 2 5 1 65 244.322 3 ↓

Analogs

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Popular Name: 6-tert-butyl-N-ethyl-2-pyrimidin-4-yl-pyrimidin-4-amine 6-tert-butyl-N-ethyl-2-pyrimidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.60 6.81 -9.43 1 5 0 64 257.341 4 ↓
Mid Mid (pH 6-8) 2.60 7.13 -23.43 2 5 1 65 258.349 4 ↓

Analogs

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Popular Name: 6-tert-butyl-N-propyl-2-pyrimidin-4-yl-pyrimidin-4-amine 6-tert-butyl-N-propyl-2-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) 3.10 7.57 -9.1 1 5 0 64 271.368 5 ↓
Mid Mid (pH 6-8) 3.10 8.02 -23.6 2 5 1 65 272.376 5 ↓

Analogs

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Popular Name: 6-isopropyl-N-propyl-2-pyrimidin-4-yl-pyrimidin-4-amine 6-isopropyl-N-propyl-2-pyrimidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 6.82 -9.33 1 5 0 64 257.341 5 ↓
Mid Mid (pH 6-8) 2.44 7.56 -24.4 2 5 1 65 258.349 5 ↓

Analogs

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Popular Name: N-ethyl-5,6-dimethyl-2-pyrimidin-4-yl-pyrimidin-4-amine N-ethyl-5,6-dimethyl-2-pyrimidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 5.74 -10.62 1 5 0 64 229.287 3 ↓
Mid Mid (pH 6-8) 1.25 6.25 -24.88 2 5 1 65 230.295 3 ↓

Analogs

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Popular Name: 5,6-dimethyl-N-propyl-2-pyrimidin-4-yl-pyrimidin-4-amine 5,6-dimethyl-N-propyl-2-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) 1.76 6.49 -10.48 1 5 0 64 243.314 4 ↓
Mid Mid (pH 6-8) 1.76 7.01 -25.01 2 5 1 65 244.322 4 ↓

Analogs

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Popular Name: N-ethyl-6-(methoxymethyl)-2-pyrimidin-4-yl-pyrimidin-4-amine N-ethyl-6-(methoxymethyl)-2-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) 0.85 4.04 -9.03 1 6 0 73 245.286 5 ↓
Lo Low (pH 4.5-6) 0.85 4.57 -24.53 2 6 1 74 246.294 5 ↓

Analogs

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Popular Name: 6-(methoxymethyl)-N-propyl-2-pyrimidin-4-yl-pyrimidin-4-amine 6-(methoxymethyl)-N-propyl-2-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) 1.35 4.81 -8.76 1 6 0 73 259.313 6 ↓
Lo Low (pH 4.5-6) 1.35 5.34 -24.57 2 6 1 74 260.321 6 ↓

Analogs

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Popular Name: N-ethyl-5-isopropyl-6-methyl-2-pyrimidin-4-yl-pyrimidin-4-amine N-ethyl-5-isopropyl-6-methyl-2-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) 1.84 7.51 -9.95 1 5 0 64 257.341 4 ↓
Mid Mid (pH 6-8) 1.84 7.95 -23.99 2 5 1 65 258.349 4 ↓

Analogs

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Popular Name: 5-isopropyl-6-methyl-N-propyl-2-pyrimidin-4-yl-pyrimidin-4-amine 5-isopropyl-6-methyl-N-propyl-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) 2.35 8.27 -9.86 1 5 0 64 271.368 5 ↓
Mid Mid (pH 6-8) 2.35 8.72 -24.02 2 5 1 65 272.376 5 ↓

Analogs

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Popular Name: 6-ethyl-N,5-dimethyl-2-pyrimidin-4-yl-pyrimidin-4-amine 6-ethyl-N,5-dimethyl-2-pyrimidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.45 5.64 -10.95 1 5 0 64 229.287 3 ↓
Mid Mid (pH 6-8) 1.45 6.09 -24.67 2 5 1 65 230.295 3 ↓

Analogs

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Popular Name: (6-methyl-2-pyrimidin-4-yl-pyrimidin-4-yl)hydrazine (6-methyl-2-pyrimidin-4-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) -0.11 2.99 -11.32 3 6 0 90 202.221 2 ↓

Analogs

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Popular Name: 2-(4,6-dimethyl-2-pyrimidin-4-yl-pyrimidin-5-yl)acetic 2-(4,6-dimethyl-2-pyrimidin-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) 0.09 6.02 -47.09 0 6 -1 92 243.246 3 ↓

Analogs

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Popular Name: 3-(4,6-dimethyl-2-pyrimidin-4-yl-pyrimidin-5-yl)propanoic 3-(4,6-dimethyl-2-pyrimidin-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) 0.61 6.83 -45.5 0 6 -1 92 257.273 4 ↓
Lo Low (pH 4.5-6) 0.61 4.85 -13.02 1 6 0 89 258.281 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-pyrimidin-4-yl-pyrimidine-5-carboxylic 4,6-dimethyl-2-pyrimidin-4-yl-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) 0.24 5.53 -45.6 0 6 -1 92 229.219 2 ↓

Analogs

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Popular Name: 2-pyrimidin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylic 2-pyrimidin-4-yl-4-(trifluoromet…

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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 5.2 -41.34 0 6 -1 92 269.162 3 ↓

Analogs

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Popular Name: 4-propyl-2-pyrimidin-4-yl-pyrimidine-5-carboxylic 4-propyl-2-pyrimidin-4-yl-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) 0.93 6.2 -42 0 6 -1 92 243.246 4 ↓

Analogs

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Popular Name: 4-ethyl-2-pyrimidin-4-yl-pyrimidine-5-carboxylic 4-ethyl-2-pyrimidin-4-yl-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) 0.43 5.43 -41.64 0 6 -1 92 229.219 3 ↓

Analogs

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Popular Name: 4-isopropyl-2-pyrimidin-4-yl-pyrimidine-5-carboxylic 4-isopropyl-2-pyrimidin-4-yl-pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.91 6.26 -44.74 0 6 -1 92 243.246 3 ↓

Analogs

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Popular Name: 4-(difluoromethyl)-2-pyrimidin-4-yl-pyrimidine-5-carboxylic 4-(difluoromethyl)-2-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) 0.41 4.96 -44.72 0 6 -1 92 251.172 3 ↓

Analogs

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Popular Name: N-[(2-pyrimidin-4-ylpyrimidin-4-yl)methyl]propan-1-amine N-[(2-pyrimidin-4-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) 0.76 5.18 -45.85 2 5 1 68 230.295 5 ↓
Mid Mid (pH 6-8) 0.76 3.82 -9.11 1 5 0 64 229.287 5 ↓

Analogs

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Popular Name: N-[(2-pyrimidin-4-ylpyrimidin-4-yl)methyl]propan-2-amine N-[(2-pyrimidin-4-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) 0.55 4.96 -43.81 2 5 1 68 230.295 4 ↓
Hi High (pH 8-9.5) 0.55 3.75 -9.05 1 5 0 64 229.287 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(2-pyrimidin-4-ylpyrimidin-4-yl)methyl]propan-2-amine 2-methyl-N-[(2-pyrimidin-4-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) 1.06 5.39 -41.44 2 5 1 68 244.322 4 ↓
Hi High (pH 8-9.5) 1.06 4.15 -8.81 1 5 0 64 243.314 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(2-pyrimidin-4-ylpyrimidin-4-yl)methyl]propan-1-amine 2-methyl-N-[(2-pyrimidin-4-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) 1.00 5.88 -45.67 2 5 1 68 244.322 5 ↓
Hi High (pH 8-9.5) 1.00 4.65 -8.81 1 5 0 64 243.314 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[(2-pyrimidin-4-ylpyrimidin-4-yl)methyl]ethanamine 2-methoxy-N-[(2-pyrimidin-4-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) -0.14 2.21 -11.2 1 6 0 73 245.286 6 ↓
Mid Mid (pH 6-8) -0.14 3.56 -46.76 2 6 1 77 246.294 6 ↓

Analogs

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Popular Name: N-[(6-methyl-2-pyrimidin-4-yl-pyrimidin-4-yl)methyl]ethanamine N-[(6-methyl-2-pyrimidin-4-yl-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) 0.69 5.03 -44.61 2 5 1 68 230.295 4 ↓
Mid Mid (pH 6-8) 0.69 3.66 -8.95 1 5 0 64 229.287 4 ↓

Analogs

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Popular Name: N-[(6-methyl-2-pyrimidin-4-yl-pyrimidin-4-yl)methyl]propan-1-amine N-[(6-methyl-2-pyrimidin-4-yl-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) 1.20 5.78 -45.43 2 5 1 68 244.322 5 ↓
Hi High (pH 8-9.5) 1.20 4.42 -8.86 1 5 0 64 243.314 5 ↓

Analogs

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Popular Name: N-[(6-methyl-2-pyrimidin-4-yl-pyrimidin-4-yl)methyl]propan-2-amine N-[(6-methyl-2-pyrimidin-4-yl-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) 0.99 5.56 -43.29 2 5 1 68 244.322 4 ↓
Hi High (pH 8-9.5) 0.99 4.33 -10.75 1 5 0 64 243.314 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(6-methyl-2-pyrimidin-4-yl-pyrimidin-4-yl)methyl]propan-2-amine 2-methyl-N-[(6-methyl-2-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) 1.50 5.97 -40.81 2 5 1 68 258.349 4 ↓
Hi High (pH 8-9.5) 1.50 4.75 -10.37 1 5 0 64 257.341 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(6-methyl-2-pyrimidin-4-yl-pyrimidin-4-yl)methyl]propan-1-amine 2-methyl-N-[(6-methyl-2-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) 1.44 6.47 -45.12 2 5 1 68 258.349 5 ↓
Hi High (pH 8-9.5) 1.44 5.1 -10.44 1 5 0 64 257.341 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[(6-methyl-2-pyrimidin-4-yl-pyrimidin-4-yl)methyl]ethanamine 2-methoxy-N-[(6-methyl-2-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) 0.30 2.74 -13.42 1 6 0 73 259.313 6 ↓
Mid Mid (pH 6-8) 0.30 4.16 -46.21 2 6 1 77 260.321 6 ↓

Analogs

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Popular Name: N-[(2-pyrimidin-4-ylpyrimidin-5-yl)methyl]propan-1-amine N-[(2-pyrimidin-4-ylpyrimidin-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) 0.33 5.2 -52.69 2 5 1 68 230.295 5 ↓
Mid Mid (pH 6-8) 0.33 3.85 -8.65 1 5 0 64 229.287 5 ↓

Analogs

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Popular Name: N-[(2-pyrimidin-4-ylpyrimidin-5-yl)methyl]propan-2-amine N-[(2-pyrimidin-4-ylpyrimidin-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) 0.13 4.98 -50.03 2 5 1 68 230.295 4 ↓
Hi High (pH 8-9.5) 0.13 3.78 -8.61 1 5 0 64 229.287 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(2-pyrimidin-4-ylpyrimidin-5-yl)methyl]propan-2-amine 2-methyl-N-[(2-pyrimidin-4-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) 0.64 5.41 -47.9 2 5 1 68 244.322 4 ↓
Hi High (pH 8-9.5) 0.64 4.18 -8.42 1 5 0 64 243.314 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(2-pyrimidin-4-ylpyrimidin-5-yl)methyl]propan-1-amine 2-methyl-N-[(2-pyrimidin-4-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) 0.58 5.9 -52.76 2 5 1 68 244.322 5 ↓
Hi High (pH 8-9.5) 0.58 4.53 -8.54 1 5 0 64 243.314 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[(2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine 2-methoxy-N-[(2-pyrimidin-4-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) -0.56 2.24 -9.88 1 6 0 73 245.286 6 ↓
Mid Mid (pH 6-8) -0.56 3.59 -52.39 2 6 1 77 246.294 6 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(4-methyl-2-pyrimidin-4-yl-pyrimidin-5-yl)ethanamine (1R)-N-methyl-1-(4-methyl-2-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) 0.40 4.77 -52.25 2 5 1 68 230.295 3 ↓
Mid Mid (pH 6-8) 0.40 3.69 -9.34 1 5 0 64 229.287 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(4-methyl-2-pyrimidin-4-yl-pyrimidin-5-yl)ethanamine (1S)-N-methyl-1-(4-methyl-2-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) 0.40 4.71 -52.32 2 5 1 68 230.295 3 ↓
Mid Mid (pH 6-8) 0.40 3.46 -8.61 1 5 0 64 229.287 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-(4-methyl-2-pyrimidin-4-yl-pyrimidin-5-yl)ethanamine (1S)-N-ethyl-1-(4-methyl-2-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) 0.78 5.58 -50.93 2 5 1 68 244.322 4 ↓
Mid Mid (pH 6-8) 0.78 4.63 -9.11 1 5 0 64 243.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-1-(4-methyl-2-pyrimidin-4-yl-pyrimidin-5-yl)ethanamine (1R)-N-ethyl-1-(4-methyl-2-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) 0.78 5.54 -50.6 2 5 1 68 244.322 4 ↓
Mid Mid (pH 6-8) 0.78 4.4 -8.26 1 5 0 64 243.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-methyl-2-pyrimidin-4-yl-pyrimidin-5-yl)ethyl]propan-1-amine N-[(1S)-1-(4-methyl-2-pyrimidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 6.34 -51.88 2 5 1 68 258.349 5 ↓
Mid Mid (pH 6-8) 1.28 5.39 -9.02 1 5 0 64 257.341 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-methyl-2-pyrimidin-4-yl-pyrimidin-5-yl)ethyl]propan-1-amine N-[(1R)-1-(4-methyl-2-pyrimidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 6.3 -51.49 2 5 1 68 258.349 5 ↓
Mid Mid (pH 6-8) 1.28 5.15 -8.16 1 5 0 64 257.341 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine (2S)-1-(2-pyrimidin-4-ylpyrimidi…

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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 4.67 -37.2 3 5 1 79 230.295 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine (2R)-1-(2-pyrimidin-4-ylpyrimidi…

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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 3.95 -45.74 3 5 1 79 230.295 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(6-methyl-2-pyrimidin-4-yl-pyrimidin-4-yl)propan-2-amine (2R)-1-(6-methyl-2-pyrimidin-4-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) 0.14 3.74 -45.16 3 5 1 79 230.295 3 ↓

Parameters Provided:

ring.id = 521482
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 = 521482 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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