[4-methyl-6-(pyridin-2-yl)pyrimidin-2-yl]methanamine hydrochloride

• ChemBase ID: 815486
• Molecular Formular: C11H13ClN4
• Molecular Mass: 236.70072
• Monoisotopic Mass: 236.08287412
• SMILES: Cl.C(N)c1nc(cc(n1)c1ncccc1)C
• Canonical SMILES: NCc1nc(C)cc(n1)c1ccccn1.Cl
• InChI: InChI=1S/C11H12N4.ClH/c1-8-6-10(15-11(7-12)14-8)9-4-2-3-5-13-9;/h2-6H,7,12H2,1H3;1H
• InChIKey: OQUPBQRBKWMFNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-methyl-6-(pyridin-2-yl)pyrimidin-2-yl]methanamine hydrochloride
• IUPAC Traditional name: [4-methyl-6-(pyridin-2-yl)pyrimidin-2-yl]methanamine hydrochloride
• Synonyms: (4-methyl-6-(pyridin-2-yl)pyrimidin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1240594-61-9

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1268688
• LogD (pH = 7.4): 0.56242234
• Log P: 1.0433708
• Molar Refractivity: 57.5332 cm^3
• Polarizability: 23.762697 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%