(4-chloro-6-methylpyrimidin-2-yl)methanamine hydrochloride

• ChemBase ID: 815432
• Molecular Formular: C6H9Cl2N3
• Molecular Mass: 194.06176
• Monoisotopic Mass: 193.01735266
• SMILES: Cl.C(N)c1nc(cc(n1)C)Cl
• Canonical SMILES: NCc1nc(C)cc(n1)Cl.Cl
• InChI: InChI=1S/C6H8ClN3.ClH/c1-4-2-5(7)10-6(3-8)9-4;/h2H,3,8H2,1H3;1H
• InChIKey: VOBMHUFWHWKMFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloro-6-methylpyrimidin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (4-chloro-6-methylpyrimidin-2-yl)methanamine hydrochloride
• Synonyms: (4-chloro-6-methylpyrimidin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1196152-23-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4587349
• LogD (pH = 7.4): 0.22779256
• Log P: 0.70354533
• Molar Refractivity: 41.164 cm^3
• Polarizability: 15.625123 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%