(4-methyl-6-phenylpyrimidin-2-yl)methanamine hydrochloride

• ChemBase ID: 815485
• Molecular Formular: C12H14ClN3
• Molecular Mass: 235.71266
• Monoisotopic Mass: 235.08762514
• SMILES: Cl.C(N)c1nc(cc(n1)c1ccccc1)C
• Canonical SMILES: NCc1nc(C)cc(n1)c1ccccc1.Cl
• InChI: InChI=1S/C12H13N3.ClH/c1-9-7-11(15-12(8-13)14-9)10-5-3-2-4-6-10;/h2-7H,8,13H2,1H3;1H
• InChIKey: RTEPQKWOSMJSDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methyl-6-phenylpyrimidin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (4-methyl-6-phenylpyrimidin-2-yl)methanamine hydrochloride
• Synonyms: (4-methyl-6-phenylpyrimidin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1196152-36-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.28846964
• LogD (pH = 7.4): 1.4022645
• Log P: 1.8900249
• Molar Refractivity: 60.0621 cm^3
• Polarizability: 24.697123 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%