5-bromo-2-propoxypyrimidine

• ChemBase ID: 807346
• Molecular Formular: C7H9BrN2O
• Molecular Mass: 217.06316
• Monoisotopic Mass: 215.98982492
• SMILES: c1(cnc(nc1)OCCC)Br
• Canonical SMILES: CCCOc1ncc(cn1)Br
• InChI: InChI=1S/C7H9BrN2O/c1-2-3-11-7-9-4-6(8)5-10-7/h4-5H,2-3H2,1H3
• InChIKey: XRSHLCWIQIJJDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-propoxypyrimidine
• IUPAC Traditional name: 5-bromo-2-propoxypyrimidine
• Synonyms: 5-BROMO-2-PROPOXYPYRIMIDINE

Database IDs

• CAS Number: 886365-64-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2189322
• LogD (pH = 7.4): 2.218933
• Log P: 2.218933
• Molar Refractivity: 46.0269 cm^3
• Polarizability: 17.672255 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%