2,4-dichloro-5,6-dimethylpyrimidine

• ChemBase ID: 294135
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: Cc1c(C)c(Cl)nc(Cl)n1
• Canonical SMILES: Clc1nc(C)c(c(n1)Cl)C
• InChI: InChI=1S/C6H6Cl2N2/c1-3-4(2)9-6(8)10-5(3)7/h1-2H3
• InChIKey: BFXIDUSEHNCLTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-5,6-dimethylpyrimidine
• IUPAC Traditional name: 2,4-dichloro-5,6-dimethylpyrimidine
• Synonyms: 2,4-Dichloro-5,6-dimethylpyrimidine

Database IDs

• CAS Number: 1780-32-1
• PubChem SID: 180679666
• PubChem CID: 241553

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.427299
• LogD (pH = 7.4): 2.4272993
• Log P: 2.4272993
• Molar Refractivity: 43.7197 cm^3
• Polarizability: 16.082685 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%