(4,6-diphenylpyrimidin-2-yl)methanamine hydrochloride

• ChemBase ID: 815428
• Molecular Formular: C17H16ClN3
• Molecular Mass: 297.78204
• Monoisotopic Mass: 297.10327521
• SMILES: Cl.C(N)c1nc(cc(n1)c1ccccc1)c1ccccc1
• Canonical SMILES: NCc1nc(cc(n1)c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C17H15N3.ClH/c18-12-17-19-15(13-7-3-1-4-8-13)11-16(20-17)14-9-5-2-6-10-14;/h1-11H,12,18H2;1H
• InChIKey: JTHJLVUKDYCOGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4,6-diphenylpyrimidin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (4,6-diphenylpyrimidin-2-yl)methanamine hydrochloride
• Synonyms: (4,6-diphenylpyrimidin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1196146-40-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5670123
• LogD (pH = 7.4): 3.2546146
• Log P: 3.7333646
• Molar Refractivity: 80.2348 cm^3
• Polarizability: 34.04347 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%