4,5-dichloro-2-methylpyrimidine

• ChemBase ID: 292635
• Molecular Formular: C5H4Cl2N2
• Molecular Mass: 163.00466
• Monoisotopic Mass: 161.9751535
• SMILES: Cc1nc(Cl)c(Cl)cn1
• Canonical SMILES: Cc1ncc(c(n1)Cl)Cl
• InChI: InChI=1S/C5H4Cl2N2/c1-3-8-2-4(6)5(7)9-3/h2H,1H3
• InChIKey: BBOCHHGADKWQHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dichloro-2-methylpyrimidine
• IUPAC Traditional name: 4,5-dichloro-2-methylpyrimidine
• Synonyms: 4,5-Dichloro-2-methylpyrimidine

Database IDs

• CAS Number: 26740-71-6
• PubChem SID: 180678166
• PubChem CID: 22596016

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9764339
• LogD (pH = 7.4): 1.9764979
• Log P: 1.9764987
• Molar Refractivity: 38.0176 cm^3
• Polarizability: 14.269978 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%