4,6-difluoro-2-methylpyrimidine

• ChemBase ID: 237294
• Molecular Formular: C5H4F2N2
• Molecular Mass: 130.0954664
• Monoisotopic Mass: 130.03425458
• SMILES: n1c(nc(cc1F)F)C
• Canonical SMILES: Fc1cc(F)nc(n1)C
• InChI: InChI=1S/C5H4F2N2/c1-3-8-4(6)2-5(7)9-3/h2H,1H3
• InChIKey: ALVMGJVBZPATCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-difluoro-2-methylpyrimidine
• IUPAC Traditional name: 4,6-difluoro-2-methylpyrimidine
• Synonyms: 4,6-difluoro-2-methylpyrimidine

Database IDs

• MDL Number: MFCD18449394
• PubChem SID: 164293204
• PubChem CID: 18981184

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6536301
• LogD (pH = 7.4): 1.6536303
• Log P: 1.6536303
• Molar Refractivity: 29.8089 cm^3
• Polarizability: 9.89777 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.525

Product Information

• Purity: 95%