6-fluoro-2-methylpyrimidin-4-amine

• ChemBase ID: 238843
• Molecular Formular: C5H6FN3
• Molecular Mass: 127.1196432
• Monoisotopic Mass: 127.05457543
• SMILES: n1c(nc(cc1N)F)C
• Canonical SMILES: Nc1cc(F)nc(n1)C
• InChI: InChI=1S/C5H6FN3/c1-3-8-4(6)2-5(7)9-3/h2H,1H3,(H2,7,8,9)
• InChIKey: RBKLRUNYUDTOGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2-methylpyrimidin-4-amine
• IUPAC Traditional name: 6-fluoro-2-methylpyrimidin-4-amine
• Synonyms: 6-fluoro-2-methylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD19204471
• PubChem SID: 164294753
• PubChem CID: 45080450

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.88444823
• LogD (pH = 7.4): 0.94895065
• Log P: 0.94983864
• Molar Refractivity: 33.5917 cm^3
• Polarizability: 11.205354 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.364

Product Information

• Purity: 95%