4,6-dimethoxy-2-methylpyrimidine

• ChemBase ID: 293721
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: COc1cc(OC)nc(C)n1
• Canonical SMILES: COc1cc(OC)nc(n1)C
• InChI: InChI=1S/C7H10N2O2/c1-5-8-6(10-2)4-7(9-5)11-3/h4H,1-3H3
• InChIKey: FWQJAXMTUACMLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethoxy-2-methylpyrimidine
• IUPAC Traditional name: 4,6-dimethoxy-2-methylpyrimidine
• Synonyms: 2-Methyl-4,6-dimethoxypyrimidine

Database IDs

• CAS Number: 13566-48-8
• PubChem SID: 180679252
• PubChem CID: 11040904

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4086148
• LogD (pH = 7.4): 1.4152198
• Log P: 1.4153047
• Molar Refractivity: 40.9001 cm^3
• Polarizability: 15.3794365 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%