2-ethenyl-4,6-dimethoxypyrimidine

• ChemBase ID: 796816
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: c1c(nc(nc1OC)C=C)OC
• Canonical SMILES: COc1cc(OC)nc(n1)C=C
• InChI: InChI=1S/C8H10N2O2/c1-4-6-9-7(11-2)5-8(10-6)12-3/h4-5H,1H2,2-3H3
• InChIKey: RVXNNXWHBOTAFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethenyl-4,6-dimethoxypyrimidine
• IUPAC Traditional name: 2-ethenyl-4,6-dimethoxypyrimidine
• Synonyms: 4,6-DiMethoxy-2-vinylpyriMidine

Database IDs

• CAS Number: 850234-80-9

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3131747
• LogD (pH = 7.4): 2.315026
• Log P: 2.3150496
• Molar Refractivity: 45.5478 cm^3
• Polarizability: 17.112091 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%