4-chloro-6-methyl-2-propylpyrimidine

• ChemBase ID: 307267
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: n1c(cc(nc1CCC)C)Cl
• Canonical SMILES: CCCc1nc(C)cc(n1)Cl
• InChI: InChI=1S/C8H11ClN2/c1-3-4-8-10-6(2)5-7(9)11-8/h5H,3-4H2,1-2H3
• InChIKey: AIPSHVWZBOQGON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-methyl-2-propylpyrimidine
• IUPAC Traditional name: 4-chloro-6-methyl-2-propylpyrimidine
• Synonyms: 4-chloro-6-methyl-2-propylpyrimidine

Database IDs

• CAS Number: 90002-86-1
• MDL Number: MFCD08753339

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.680969
• LogD (pH = 7.4): 2.6822314
• Log P: 2.6822476
• Molar Refractivity: 47.0322 cm^3
• Polarizability: 17.690472 Å^3
• Polar Surface Area: 25.78 Å^2