2,5-dibromo-4-methylpyrimidine

• ChemBase ID: 294893
• Molecular Formular: C5H4Br2N2
• Molecular Mass: 251.90666
• Monoisotopic Mass: 249.87412214
• SMILES: Cc1nc(Br)ncc1Br
• Canonical SMILES: Brc1ncc(c(n1)C)Br
• InChI: InChI=1S/C5H4Br2N2/c1-3-4(6)2-8-5(7)9-3/h2H,1H3
• InChIKey: IRPNRIMHCGWJMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromo-4-methylpyrimidine
• IUPAC Traditional name: 2,5-dibromo-4-methylpyrimidine
• Synonyms: 2,5-Dibromo-4-methylpyrimidine

Database IDs

• CAS Number: 171408-73-4
• MDL Number: MFCD13193658
• PubChem SID: 180680424
• PubChem CID: 66521322

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0084612
• LogD (pH = 7.4): 2.0084615
• Log P: 2.0084615
• Molar Refractivity: 43.0341 cm^3
• Polarizability: 16.491531 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%