4-methoxy-6-(pyridin-3-yl)pyrimidin-2-amine

• ChemBase ID: 541604
• Molecular Formular: C10H10N4O
• Molecular Mass: 202.2126
• Monoisotopic Mass: 202.08546096
• SMILES: n1c(nc(cc1OC)c1cnccc1)N
• Canonical SMILES: COc1nc(N)nc(c1)c1cccnc1
• InChI: InChI=1S/C10H10N4O/c1-15-9-5-8(13-10(11)14-9)7-3-2-4-12-6-7/h2-6H,1H3,(H2,11,13,14)
• InChIKey: VIKWQBRZQRRWPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-6-(pyridin-3-yl)pyrimidin-2-amine
• IUPAC Traditional name: 4-methoxy-6-(pyridin-3-yl)pyrimidin-2-amine
• Synonyms: 4-methoxy-6-(3-pyridinyl)-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.039986
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1106746
• LogD (pH = 7.4): 1.1512456
• Log P: 1.151785
• Molar Refractivity: 56.7527 cm^3
• Polarizability: 22.251959 Å^3
• Polar Surface Area: 73.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.36
• LOG S: -1.83
• Polar Surface Area: 73.92 Å^2
• Rotatable Bonds: 2