5-fluoro-2-methoxypyrimidin-4-amine

• ChemBase ID: 288367
• Molecular Formular: C5H6FN3O
• Molecular Mass: 143.1190432
• Monoisotopic Mass: 143.04949005
• SMILES: Nc1nc(OC)ncc1F
• Canonical SMILES: COc1ncc(c(n1)N)F
• InChI: InChI=1S/C5H6FN3O/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3,(H2,7,8,9)
• InChIKey: BYALTIIVASWNSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-methoxypyrimidin-4-amine
• IUPAC Traditional name: 5-fluoro-2-methoxypyrimidin-4-amine
• Synonyms: 5-Fluoro-2-methoxypyrimidin-4-amine

Database IDs

• CAS Number: 1993-63-1
• MDL Number: MFCD09264289
• PubChem SID: 180673898
• PubChem CID: 44630535

CALCULATED PROPERTIES

• Acid pKa: 16.869928
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.47730917
• LogD (pH = 7.4): 0.47906134
• Log P: 0.47908372
• Molar Refractivity: 34.3618 cm^3
• Polarizability: 12.045056 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%