(4,6-dichloro-5-methylpyrimidin-2-yl)methanamine

• ChemBase ID: 803820
• Molecular Formular: C6H7Cl2N3
• Molecular Mass: 192.04588
• Monoisotopic Mass: 191.0017026
• SMILES: C(N)c1nc(c(c(n1)Cl)C)Cl
• Canonical SMILES: NCc1nc(Cl)c(c(n1)Cl)C
• InChI: InChI=1S/C6H7Cl2N3/c1-3-5(7)10-4(2-9)11-6(3)8/h2,9H2,1H3
• InChIKey: OEXDMAIDGLFVCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4,6-dichloro-5-methylpyrimidin-2-yl)methanamine
• IUPAC Traditional name: (4,6-dichloro-5-methylpyrimidin-2-yl)methanamine
• Synonyms: (4,6-DICHLORO-5-METHYLPYRIMIDIN-2-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.31483433
• LogD (pH = 7.4): 1.3750204
• Log P: 1.8602122
• Molar Refractivity: 47.4798 cm^3
• Polarizability: 17.627424 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%