methyl[(2-phenylpyrimidin-5-yl)methyl]amine

• ChemBase ID: 101478
• Molecular Formular: C12H13N3
• Molecular Mass: 199.25172
• Monoisotopic Mass: 199.11094743
• SMILES: c1(ncc(cn1)CNC)c1ccccc1
• Canonical SMILES: CNCc1cnc(nc1)c1ccccc1
• InChI: InChI=1S/C12H13N3/c1-13-7-10-8-14-12(15-9-10)11-5-3-2-4-6-11/h2-6,8-9,13H,7H2,1H3
• InChIKey: BEURLXDVKSQEIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2-phenylpyrimidin-5-yl)methyl]amine
• IUPAC Traditional name: methyl[(2-phenylpyrimidin-5-yl)methyl]amine
• Synonyms: N-methyl-(2-phenylpyrimidin-5-yl)methylamine

Database IDs

• CAS Number: 921939-11-9
• MDL Number: MFCD09879949
• PubChem SID: 162088527
• PubChem CID: 24229727

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1681228
• LogD (pH = 7.4): 0.40080398
• Log P: 1.9220874
• Molar Refractivity: 71.3814 cm^3
• Polarizability: 24.067812 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%