5-methoxy-2,4-dimethylpyrimidine

• ChemBase ID: 292762
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: COc1c(C)nc(C)nc1
• Canonical SMILES: COc1cnc(nc1C)C
• InChI: InChI=1S/C7H10N2O/c1-5-7(10-3)4-8-6(2)9-5/h4H,1-3H3
• InChIKey: HYFYZTADXFSUPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2,4-dimethylpyrimidine
• IUPAC Traditional name: 5-methoxy-2,4-dimethylpyrimidine
• Synonyms: 5-Methoxy-2,4-dimethylpyrimidine

Database IDs

• CAS Number: 1369766-72-2
• PubChem SID: 180678293
• PubChem CID: 67283705

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.55745304
• LogD (pH = 7.4): 0.5593423
• Log P: 0.55936646
• Molar Refractivity: 38.4014 cm^3
• Polarizability: 14.593831 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%