2,4-dibromo-5-methylpyrimidine

• ChemBase ID: 246053
• Molecular Formular: C5H4Br2N2
• Molecular Mass: 251.90666
• Monoisotopic Mass: 249.87412214
• SMILES: n1c(c(cnc1Br)C)Br
• Canonical SMILES: Brc1ncc(c(n1)Br)C
• InChI: InChI=1S/C5H4Br2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3
• InChIKey: LMFZLHUYHRZZON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18205976
• PubChem SID: 164301963
• PubChem CID: 45117391

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5960345
• LogD (pH = 7.4): 2.5960345
• Log P: 2.5960345
• Molar Refractivity: 44.326 cm^3
• Polarizability: 16.53375 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58 - 60°C
• Hydrophobicity(logP): 1.965

Product Information

• Purity: 95%