2-(4,6-diphenylpyrimidin-2-yl)ethan-1-amine hydrochloride

• ChemBase ID: 815518
• Molecular Formular: C18H18ClN3
• Molecular Mass: 311.80862
• Monoisotopic Mass: 311.11892527
• SMILES: Cl.C(Cc1nc(cc(n1)c1ccccc1)c1ccccc1)N
• Canonical SMILES: NCCc1nc(cc(n1)c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C18H17N3.ClH/c19-12-11-18-20-16(14-7-3-1-4-8-14)13-17(21-18)15-9-5-2-6-10-15;/h1-10,13H,11-12,19H2;1H
• InChIKey: FGPOSCQZHMDAFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,6-diphenylpyrimidin-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(4,6-diphenylpyrimidin-2-yl)ethanamine hydrochloride
• Synonyms: 2-(4,6-diphenylpyrimidin-2-yl)ethanamine hydrochloride

Database IDs

• CAS Number: 1196155-40-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.79310954
• LogD (pH = 7.4): 1.9492327
• Log P: 3.9241447
• Molar Refractivity: 84.9342 cm^3
• Polarizability: 35.805 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%