2-methyl-6-{[5-(oxolan-3-yl)-4-phenyl-1H-imidazol-1-yl]methyl}pyrimidin-4-ol

• ChemBase ID: 450813
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: n1(c(c(nc1)c1ccccc1)C1COCC1)Cc1nc(nc(c1)O)C
• Canonical SMILES: Oc1cc(nc(n1)C)Cn1cnc(c1C1COCC1)c1ccccc1
• InChI: InChI=1S/C19H20N4O2/c1-13-21-16(9-17(24)22-13)10-23-12-20-18(14-5-3-2-4-6-14)19(23)15-7-8-25-11-15/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,21,22,24)
• InChIKey: LJDPZSWKCNHVQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-{[5-(oxolan-3-yl)-4-phenyl-1H-imidazol-1-yl]methyl}pyrimidin-4-ol
• IUPAC Traditional name: 2-methyl-6-{[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl}pyrimidin-4-ol
• Synonyms: 2-methyl-6-{[4-phenyl-5-(tetrahydrofuran-3-yl)-1H-imidazol-1-yl]methyl}pyrimidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.598965
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.1896229
• LogD (pH = 7.4): 2.6431139
• Log P: 2.654797
• Molar Refractivity: 95.342 cm^3
• Polarizability: 37.275978 Å^3
• Polar Surface Area: 73.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.81
• LOG S: -2.35
• Polar Surface Area: 73.06 Å^2
• Rotatable Bonds: 4