[2-(3-fluorophenyl)pyrimidin-5-yl]methanamine

• ChemBase ID: 803609
• Molecular Formular: C11H10FN3
• Molecular Mass: 203.2156032
• Monoisotopic Mass: 203.08587556
• SMILES: C(N)c1cnc(nc1)c1cc(ccc1)F
• Canonical SMILES: NCc1cnc(nc1)c1cccc(c1)F
• InChI: InChI=1S/C11H10FN3/c12-10-3-1-2-9(4-10)11-14-6-8(5-13)7-15-11/h1-4,6-7H,5,13H2
• InChIKey: MCHWLYZSRSPFAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-fluorophenyl)pyrimidin-5-yl]methanamine
• IUPAC Traditional name: [2-(3-fluorophenyl)pyrimidin-5-yl]methanamine
• Synonyms: 1-[2-(3-FLUOROPHENYL)PYRIMIDIN-5-YL]METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.307658
• LogD (pH = 7.4): 0.19735314
• Log P: 1.6771572
• Molar Refractivity: 66.8232 cm^3
• Polarizability: 21.826775 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%