5-ethylpyrimidin-2-amine

• ChemBase ID: 288462
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: CCc1cnc(N)nc1
• Canonical SMILES: CCc1cnc(nc1)N
• InChI: InChI=1S/C6H9N3/c1-2-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3,(H2,7,8,9)
• InChIKey: YCHYGGNTIXJETG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethylpyrimidin-2-amine
• IUPAC Traditional name: 5-ethylpyrimidin-2-amine
• Synonyms: 5-Ethylpyrimidin-2-amine

Database IDs

• CAS Number: 39268-71-8
• PubChem SID: 180673993
• PubChem CID: 23131355

CALCULATED PROPERTIES

• Acid pKa: 17.359083
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.85434043
• LogD (pH = 7.4): 0.85754454
• Log P: 0.85758555
• Molar Refractivity: 37.0109 cm^3
• Polarizability: 13.283412 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%