4-chloro-2-ethyl-6-methylpyrimidine

• ChemBase ID: 307268
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: n1c(cc(nc1CC)C)Cl
• Canonical SMILES: CCc1nc(C)cc(n1)Cl
• InChI: InChI=1S/C7H9ClN2/c1-3-7-9-5(2)4-6(8)10-7/h4H,3H2,1-2H3
• InChIKey: UXHUHCFLWOQURB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-ethyl-6-methylpyrimidine
• IUPAC Traditional name: 4-chloro-2-ethyl-6-methylpyrimidine
• Synonyms: 4-chloro-2-ethyl-6-methylpyrimidine

Database IDs

• CAS Number: 55108-54-8
• MDL Number: MFCD08753330

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.260619
• LogD (pH = 7.4): 2.2619908
• Log P: 2.2620084
• Molar Refractivity: 42.4312 cm^3
• Polarizability: 15.855617 Å^3
• Polar Surface Area: 25.78 Å^2