2-(4-methyl-6-phenylpyrimidin-2-yl)ethan-1-amine

• ChemBase ID: 803849
• Molecular Formular: C13H15N3
• Molecular Mass: 213.2783
• Monoisotopic Mass: 213.1265975
• SMILES: C(Cc1nc(cc(n1)c1ccccc1)C)N
• Canonical SMILES: NCCc1nc(C)cc(n1)c1ccccc1
• InChI: InChI=1S/C13H15N3/c1-10-9-12(11-5-3-2-4-6-11)16-13(15-10)7-8-14/h2-6,9H,7-8,14H2,1H3
• InChIKey: FPFZCFBRHLDFCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methyl-6-phenylpyrimidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-methyl-6-phenylpyrimidin-2-yl)ethanamine
• Synonyms: 2-(4-METHYL-6-PHENYLPYRIMIDIN-2-YL)ETHAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0522919
• LogD (pH = 7.4): 0.09523653
• Log P: 2.0808053
• Molar Refractivity: 64.7615 cm^3
• Polarizability: 26.463665 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%