5-(chloromethyl)-N,N-dimethylpyrimidin-2-amine

• ChemBase ID: 803743
• Molecular Formular: C7H10ClN3
• Molecular Mass: 171.6274
• Monoisotopic Mass: 171.05632502
• SMILES: c1(cnc(nc1)N(C)C)CCl
• Canonical SMILES: ClCc1cnc(nc1)N(C)C
• InChI: InChI=1S/C7H10ClN3/c1-11(2)7-9-4-6(3-8)5-10-7/h4-5H,3H2,1-2H3
• InChIKey: GDNNNRWCFSCHIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(chloromethyl)-N,N-dimethylpyrimidin-2-amine
• IUPAC Traditional name: 5-(chloromethyl)-N,N-dimethylpyrimidin-2-amine
• Synonyms: 5-(CHLOROMETHYL)-N,N-DIMETHYLPYRIMIDIN-2-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4226506
• LogD (pH = 7.4): 1.4237928
• Log P: 1.4238074
• Molar Refractivity: 46.9638 cm^3
• Polarizability: 17.046139 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%