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

• ChemBase ID: 802006
• Molecular Formular: C12H13N3
• Molecular Mass: 199.25172
• Monoisotopic Mass: 199.11094743
• SMILES: C(C)(N)c1ncc(cn1)c1ccccc1
• Canonical SMILES: CC(c1ncc(cn1)c1ccccc1)N
• InChI: InChI=1S/C12H13N3/c1-9(13)12-14-7-11(8-15-12)10-5-3-2-4-6-10/h2-9H,13H2,1H3
• InChIKey: DXRNTIADHPCQCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.574241
• LogD (pH = 7.4): 1.1526332
• Log P: 1.8266797
• Molar Refractivity: 60.3365 cm^3
• Polarizability: 24.781605 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%