3-(2-hydroxy-4,6-dimethylpyrimidin-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide

• ChemBase ID: 389467
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: c1(nc(c(c(n1)C)CCC(=O)N(Cc1ncccc1)CC1OCCC1)C)O
• Canonical SMILES: O=C(N(Cc1ccccn1)CC1CCCO1)CCc1c(C)nc(nc1C)O
• InChI: InChI=1S/C20H26N4O3/c1-14-18(15(2)23-20(26)22-14)8-9-19(25)24(13-17-7-5-11-27-17)12-16-6-3-4-10-21-16/h3-4,6,10,17H,5,7-9,11-13H2,1-2H3,(H,22,23,26)
• InChIKey: IGHXQPBWACZHLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-hydroxy-4,6-dimethylpyrimidin-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
• IUPAC Traditional name: 3-(2-hydroxy-4,6-dimethylpyrimidin-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
• Synonyms: 3-(2-hydroxy-4,6-dimethylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.365724
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.399593
• LogD (pH = 7.4): 1.4170566
• Log P: 1.4172846
• Molar Refractivity: 101.5446 cm^3
• Polarizability: 39.135044 Å^3
• Polar Surface Area: 88.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.24
• LOG S: -0.85
• Polar Surface Area: 88.44 Å^2
• Rotatable Bonds: 7