2-(methoxymethyl)pyrimidin-4-amine

• ChemBase ID: 797920
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: c1c(nc(nc1)COC)N
• Canonical SMILES: COCc1nccc(n1)N
• InChI: InChI=1S/C6H9N3O/c1-10-4-6-8-3-2-5(7)9-6/h2-3H,4H2,1H3,(H2,7,8,9)
• InChIKey: AUNQXUFJXZBTIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methoxymethyl)pyrimidin-4-amine
• IUPAC Traditional name: 2-(methoxymethyl)pyrimidin-4-amine
• Synonyms: 2-(methoxymethyl)pyrimidin-4-amine

Database IDs

• CAS Number: 3122-85-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.1516496
• LogD (pH = 7.4): 0.17056835
• Log P: 0.1708151
• Molar Refractivity: 38.814 cm^3
• Polarizability: 14.069241 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%