2-(ethylamino)pyrimidine-5-carbaldehyde

• ChemBase ID: 307912
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: c1(ncc(cn1)C=O)NCC
• Canonical SMILES: CCNc1ncc(cn1)C=O
• InChI: InChI=1S/C7H9N3O/c1-2-8-7-9-3-6(5-11)4-10-7/h3-5H,2H2,1H3,(H,8,9,10)
• InChIKey: FFFRZFQWAMMSTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethylamino)pyrimidine-5-carbaldehyde
• IUPAC Traditional name: 2-(ethylamino)pyrimidine-5-carbaldehyde
• Synonyms: 2-(ethylamino)pyrimidine-5-carbaldehyde

Database IDs

• CAS Number: 137279-29-9
• MDL Number: MFCD09864414

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.27043548
• LogD (pH = 7.4): 0.2706077
• Log P: 0.27060992
• Molar Refractivity: 44.1947 cm^3
• Polarizability: 15.280961 Å^3
• Polar Surface Area: 54.88 Å^2