[2-(2-aminopyrimidin-5-yl)phenyl]methanol

• ChemBase ID: 735732
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: c1(ncc(c2c(CO)cccc2)cn1)N
• Canonical SMILES: OCc1ccccc1c1cnc(nc1)N
• InChI: InChI=1S/C11H11N3O/c12-11-13-5-9(6-14-11)10-4-2-1-3-8(10)7-15/h1-6,15H,7H2,(H2,12,13,14)
• InChIKey: RURJUVMOBNMXDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-aminopyrimidin-5-yl)phenyl]methanol
• IUPAC Traditional name: [2-(2-aminopyrimidin-5-yl)phenyl]methanol
• Synonyms: [2-(2-aminopyrimidin-5-yl)phenyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.116031
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.77770054
• LogD (pH = 7.4): 0.77944875
• Log P: 0.7794711
• Molar Refractivity: 59.3208 cm^3
• Polarizability: 23.092194 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.23
• LOG S: -0.86
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 2