2,5-bis(chloromethyl)pyrimidine

• ChemBase ID: 803747
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: c1(cnc(nc1)CCl)CCl
• Canonical SMILES: ClCc1ncc(cn1)CCl
• InChI: InChI=1S/C6H6Cl2N2/c7-1-5-3-9-6(2-8)10-4-5/h3-4H,1-2H2
• InChIKey: HZLBEEAMWXSDIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-bis(chloromethyl)pyrimidine
• IUPAC Traditional name: 2,5-bis(chloromethyl)pyrimidine
• Synonyms: 2,5-BIS(CHLOROMETHYL)PYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7506986
• LogD (pH = 7.4): 1.7507012
• Log P: 1.7507012
• Molar Refractivity: 41.9668 cm^3
• Polarizability: 15.9480295 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%