2-(5-fluoropyrimidin-2-yl)ethan-1-amine

• ChemBase ID: 803834
• Molecular Formular: C6H8FN3
• Molecular Mass: 141.1462232
• Monoisotopic Mass: 141.07022549
• SMILES: C(Cc1ncc(cn1)F)N
• Canonical SMILES: NCCc1ncc(cn1)F
• InChI: InChI=1S/C6H8FN3/c7-5-3-9-6(1-2-8)10-4-5/h3-4H,1-2,8H2
• InChIKey: TXAYQICBODFXOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-fluoropyrimidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-fluoropyrimidin-2-yl)ethanamine
• Synonyms: 2-(5-FLUOROPYRIMIDIN-2-YL)ETHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.151892
• LogD (pH = 7.4): -2.0133088
• Log P: -0.017019363
• Molar Refractivity: 35.6222 cm^3
• Polarizability: 13.383945 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%