6-fluoropyrimidin-4-amine

• ChemBase ID: 242082
• Molecular Formular: C4H4FN3
• Molecular Mass: 113.0930632
• Monoisotopic Mass: 113.03892536
• SMILES: n1c(cc(nc1)F)N
• Canonical SMILES: Nc1ncnc(c1)F
• InChI: InChI=1S/C4H4FN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)
• InChIKey: PPUIVMHRKBEYCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoropyrimidin-4-amine
• IUPAC Traditional name: 6-fluoropyrimidin-4-amine
• Synonyms: 6-fluoropyrimidin-4-amine

Database IDs

• MDL Number: MFCD00769379
• PubChem SID: 164297992
• PubChem CID: 574613

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.34622356
• LogD (pH = 7.4): 0.3518277
• Log P: 0.35189962
• Molar Refractivity: 28.9673 cm^3
• Polarizability: 9.4687605 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.135

Product Information

• Purity: 95%