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

• ChemBase ID: 806671
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: C(Cc1cncnc1)N
• Canonical SMILES: NCCc1cncnc1
• InChI: InChI=1S/C6H9N3/c7-2-1-6-3-8-5-9-4-6/h3-5H,1-2,7H2
• InChIKey: KZDUEURFEGZGOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrimidin-5-yl)ethan-1-amine
• IUPAC Traditional name: 2-(pyrimidin-5-yl)ethanamine
• Synonyms: 2-(PYRIMIDIN-5-YL)ETHAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.534234
• LogD (pH = 7.4): -2.6897986
• Log P: -0.5358349
• Molar Refractivity: 35.9507 cm^3
• Polarizability: 13.668087 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%