5-(chloromethyl)-2-methoxypyrimidine

• ChemBase ID: 803738
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: c1(cnc(nc1)OC)CCl
• Canonical SMILES: COc1ncc(cn1)CCl
• InChI: InChI=1S/C6H7ClN2O/c1-10-6-8-3-5(2-7)4-9-6/h3-4H,2H2,1H3
• InChIKey: DQFAKCZQDNAAJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(chloromethyl)-2-methoxypyrimidine
• IUPAC Traditional name: 5-(chloromethyl)-2-methoxypyrimidine
• Synonyms: 5-(CHLOROMETHYL)-2-METHOXYPYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1580868
• LogD (pH = 7.4): 1.1580923
• Log P: 1.1580923
• Molar Refractivity: 38.9984 cm^3
• Polarizability: 14.789469 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%