2-(5-phenylpyrimidin-2-yl)ethan-1-amine

• ChemBase ID: 803856
• Molecular Formular: C12H13N3
• Molecular Mass: 199.25172
• Monoisotopic Mass: 199.11094743
• SMILES: C(Cc1ncc(cn1)c1ccccc1)N
• Canonical SMILES: NCCc1ncc(cn1)c1ccccc1
• InChI: InChI=1S/C12H13N3/c13-7-6-12-14-8-11(9-15-12)10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2
• InChIKey: GJJNQEMMCWKKML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-phenylpyrimidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-phenylpyrimidin-2-yl)ethanamine
• Synonyms: 2-(5-PHENYLPYRIMIDIN-2-YL)ETHAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6410402
• LogD (pH = 7.4): -0.49841157
• Log P: 1.4929643
• Molar Refractivity: 60.542 cm^3
• Polarizability: 24.700264 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%