5-(4-fluorophenyl)pyrimidin-4-amine

• ChemBase ID: 234944
• Molecular Formular: C10H8FN3
• Molecular Mass: 189.1890232
• Monoisotopic Mass: 189.07022549
• SMILES: c1(c(ncnc1)N)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)c1cncnc1N
• InChI: InChI=1S/C10H8FN3/c11-8-3-1-7(2-4-8)9-5-13-6-14-10(9)12/h1-6H,(H2,12,13,14)
• InChIKey: MSKBOHZOGUHTPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-fluorophenyl)pyrimidin-4-amine
• IUPAC Traditional name: 5-(4-fluorophenyl)pyrimidin-4-amine
• Synonyms: 5-(4-fluorophenyl)pyrimidin-4-amine

Database IDs

• MDL Number: MFCD07381981
• PubChem SID: 164290854
• PubChem CID: 321724

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.418727
• LogD (pH = 7.4): 1.6022182
• Log P: 1.6051943
• Molar Refractivity: 53.0888 cm^3
• Polarizability: 20.267908 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.716

Product Information

• Purity: 95%