2-chloro-4,5-dimethylpyrimidine

• ChemBase ID: 245105
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1c(ncc(c1C)C)Cl
• Canonical SMILES: Clc1ncc(c(n1)C)C
• InChI: InChI=1S/C6H7ClN2/c1-4-3-8-6(7)9-5(4)2/h3H,1-2H3
• InChIKey: DBQFXQNGQUPVER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,5-dimethylpyrimidine
• IUPAC Traditional name: 2-chloro-4,5-dimethylpyrimidine
• Synonyms: 2-chloro-4,5-dimethylpyrimidine

Database IDs

• MDL Number: MFCD18377643
• PubChem SID: 164301015
• PubChem CID: 12581784

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6030768
• LogD (pH = 7.4): 1.6030774
• Log P: 1.6030774
• Molar Refractivity: 37.8536 cm^3
• Polarizability: 14.080513 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.387

Product Information

• Purity: 95%