5-bromo-2-(4-methoxyphenyl)pyrimidine

• ChemBase ID: 803617
• Molecular Formular: C11H9BrN2O
• Molecular Mass: 265.10596
• Monoisotopic Mass: 263.98982492
• SMILES: c1(cnc(nc1)c1ccc(cc1)OC)Br
• Canonical SMILES: COc1ccc(cc1)c1ncc(cn1)Br
• InChI: InChI=1S/C11H9BrN2O/c1-15-10-4-2-8(3-5-10)11-13-6-9(12)7-14-11/h2-7H,1H3
• InChIKey: ZYXVXPSQECSTQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(4-methoxyphenyl)pyrimidine
• IUPAC Traditional name: 5-bromo-2-(4-methoxyphenyl)pyrimidine
• Synonyms: 5-BROMO-2-(4-METHOXYPHENYL)PYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9737132
• LogD (pH = 7.4): 2.973724
• Log P: 2.973724
• Molar Refractivity: 72.2194 cm^3
• Polarizability: 24.081926 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%