2,6-difluoropyrimidin-4-amine

• ChemBase ID: 294441
• Molecular Formular: C4H3F2N3
• Molecular Mass: 131.0835264
• Monoisotopic Mass: 131.02950355
• SMILES: Nc1cc(F)nc(F)n1
• Canonical SMILES: Nc1cc(F)nc(n1)F
• InChI: InChI=1S/C4H3F2N3/c5-2-1-3(7)9-4(6)8-2/h1H,(H2,7,8,9)
• InChIKey: BBASDBMEDBTAHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoropyrimidin-4-amine
• IUPAC Traditional name: 2,6-difluoropyrimidin-4-amine
• Synonyms: 2,6-Difluoropyrimidin-4-amine

Database IDs

• CAS Number: 675-12-7
• MDL Number: MFCD00457061
• PubChem SID: 180679972
• PubChem CID: 582916

CALCULATED PROPERTIES

• Acid pKa: 19.40324
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9728607
• LogD (pH = 7.4): 0.97286075
• Log P: 0.97286075
• Molar Refractivity: 29.8309 cm^3
• Polarizability: 9.370103 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%