2-(chloromethyl)-5-propylpyrimidine

• ChemBase ID: 803888
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: c1(cnc(nc1)CCl)CCC
• Canonical SMILES: CCCc1cnc(nc1)CCl
• InChI: InChI=1S/C8H11ClN2/c1-2-3-7-5-10-8(4-9)11-6-7/h5-6H,2-4H2,1H3
• InChIKey: OJJZSVMEQGHTIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-5-propylpyrimidine
• IUPAC Traditional name: 2-(chloromethyl)-5-propylpyrimidine
• Synonyms: 2-(CHLOROMETHYL)-5-PROPYLPYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4721847
• LogD (pH = 7.4): 2.4721885
• Log P: 2.4721887
• Molar Refractivity: 46.3431 cm^3
• Polarizability: 17.652393 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%