4,6-dichloro-2,5-dimethylpyrimidine

• ChemBase ID: 272370
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: n1c(c(c(nc1C)Cl)C)Cl
• Canonical SMILES: Cc1nc(Cl)c(c(n1)Cl)C
• InChI: InChI=1S/C6H6Cl2N2/c1-3-5(7)9-4(2)10-6(3)8/h1-2H3
• InChIKey: BXVKGWQEEXPBAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-2,5-dimethylpyrimidine
• IUPAC Traditional name: 4,6-dichloro-2,5-dimethylpyrimidine
• Synonyms: 4,6-dichloro-2,5-dimethylpyrimidine; Pyrimidine, 4,6-dichloro-2,5-dimethyl-

Database IDs

• CAS Number: 1780-33-2
• MDL Number: MFCD09991674
• PubChem SID: 164328280
• PubChem CID: 237013

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7697048
• LogD (pH = 7.4): 2.7697053
• Log P: 2.7697053
• Molar Refractivity: 44.1201 cm^3
• Polarizability: 16.028557 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.164

Product Information

• Purity: 95%; 95+%; 98%