(2-methoxypyrimidin-5-yl)methanamine

• ChemBase ID: 806723
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: C(N)c1cnc(nc1)OC
• Canonical SMILES: COc1ncc(cn1)CN
• InChI: InChI=1S/C6H9N3O/c1-10-6-8-3-5(2-7)4-9-6/h3-4H,2,7H2,1H3
• InChIKey: WQGGCEDSKVDHPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxypyrimidin-5-yl)methanamine
• IUPAC Traditional name: (2-methoxypyrimidin-5-yl)methanamine
• Synonyms: (2-METHOXYPYRIMIDIN-5-YL)METHANAMINE

Database IDs

• CAS Number: 944899-18-7

CALCULATED PROPERTIES

• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1684947
• LogD (pH = 7.4): -1.7651167
• Log P: -0.30338135
• Molar Refractivity: 37.6049 cm^3
• Polarizability: 14.438978 Å^3

PROPERTIES

Product Information

• Purity: 98%