2-ethylpyrimidin-5-amine

• ChemBase ID: 270687
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1c(ncc(c1)N)CC
• Canonical SMILES: CCc1ncc(cn1)N
• InChI: InChI=1S/C6H9N3/c1-2-6-8-3-5(7)4-9-6/h3-4H,2,7H2,1H3
• InChIKey: BUOOSXRJFONRBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11103239
• PubChem SID: 164326597
• PubChem CID: 43142246

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4224081
• LogD (pH = 7.4): 0.42297253
• Log P: 0.4229797
• Molar Refractivity: 36.674 cm^3
• Polarizability: 13.284902 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 - 127°C
• Hydrophobicity(logP): 0.704

Product Information

• Purity: 95%