N,N-dibenzyl-5-bromopyrimidin-2-amine

• ChemBase ID: 812612
• Molecular Formular: C18H16BrN3
• Molecular Mass: 354.24374
• Monoisotopic Mass: 353.05275953
• SMILES: N(c1ncc(cn1)Br)(Cc1ccccc1)Cc1ccccc1
• Canonical SMILES: Brc1cnc(nc1)N(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C18H16BrN3/c19-17-11-20-18(21-12-17)22(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2
• InChIKey: QRWDAIXMGNQNLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibenzyl-5-bromopyrimidin-2-amine
• IUPAC Traditional name: N,N-dibenzyl-5-bromopyrimidin-2-amine
• Synonyms: DIBENZYL-(5-BROMO-PYRIMIDIN-2-YL)-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.054104
• LogD (pH = 7.4): 5.054262
• Log P: 5.054264
• Molar Refractivity: 93.9449 cm^3
• Polarizability: 35.22581 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%