4-(2-methoxypyridin-3-yl)pyrimidin-2-amine

• ChemBase ID: 814577
• Molecular Formular: C10H10N4O
• Molecular Mass: 202.2126
• Monoisotopic Mass: 202.08546096
• SMILES: c1c(nc(nc1)N)c1c(nccc1)OC
• Canonical SMILES: COc1ncccc1c1ccnc(n1)N
• InChI: InChI=1S/C10H10N4O/c1-15-9-7(3-2-5-12-9)8-4-6-13-10(11)14-8/h2-6H,1H3,(H2,11,13,14)
• InChIKey: SFBFXKZQKKMDJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxypyridin-3-yl)pyrimidin-2-amine
• IUPAC Traditional name: 4-(2-methoxypyridin-3-yl)pyrimidin-2-amine
• Synonyms: 4-(2-methoxypyridin-3-yl)pyrimidin-2-amine

Database IDs

• CAS Number: 1035944-51-4

CALCULATED PROPERTIES

• Acid pKa: 16.422699
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.148606
• LogD (pH = 7.4): 1.1517448
• Log P: 1.151785
• Molar Refractivity: 56.7527 cm^3
• Polarizability: 22.257315 Å^3
• Polar Surface Area: 73.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%