4,6-dimethoxypyrimidine

• ChemBase ID: 797175
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: c1c(ncnc1OC)OC
• Canonical SMILES: COc1ncnc(c1)OC
• InChI: InChI=1S/C6H8N2O2/c1-9-5-3-6(10-2)8-4-7-5/h3-4H,1-2H3
• InChIKey: FPSPPRZKBUVEJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethoxypyrimidine
• IUPAC Traditional name: 4,6-dimethoxypyrimidine
• Synonyms: 4,6-DiMethoxypyriMidine

Database IDs

• CAS Number: 5270-94-0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.92281294
• LogD (pH = 7.4): 0.92330176
• Log P: 0.92330796
• Molar Refractivity: 36.2757 cm^3
• Polarizability: 13.62432 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%