2-chloro-N-ethyl-N-methylpyrimidin-4-amine

• ChemBase ID: 308284
• Molecular Formular: C7H10ClN3
• Molecular Mass: 171.6274
• Monoisotopic Mass: 171.05632502
• SMILES: n1c(N(CC)C)ccnc1Cl
• Canonical SMILES: CN(c1ccnc(n1)Cl)CC
• InChI: InChI=1S/C7H10ClN3/c1-3-11(2)6-4-5-9-7(8)10-6/h4-5H,3H2,1-2H3
• InChIKey: WYVQCIMGZVVQER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-ethyl-N-methylpyrimidin-4-amine
• IUPAC Traditional name: 2-chloro-N-ethyl-N-methylpyrimidin-4-amine
• Synonyms: 2-chloro-N-ethyl-N-methyl-4-pyrimidinamine

Database IDs

• CAS Number: 77200-07-8
• MDL Number: MFCD09864596

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0170667
• LogD (pH = 7.4): 2.0175884
• Log P: 2.017595
• Molar Refractivity: 47.7116 cm^3
• Polarizability: 17.218277 Å^3
• Polar Surface Area: 29.02 Å^2