ethyl 2-[(5-formylpyrimidin-2-yl)(methyl)amino]acetate

• ChemBase ID: 307794
• Molecular Formular: C10H13N3O3
• Molecular Mass: 223.22852
• Monoisotopic Mass: 223.09569129
• SMILES: c1(ncc(cn1)C=O)N(CC(=O)OCC)C
• Canonical SMILES: CCOC(=O)CN(c1ncc(cn1)C=O)C
• InChI: InChI=1S/C10H13N3O3/c1-3-16-9(15)6-13(2)10-11-4-8(7-14)5-12-10/h4-5,7H,3,6H2,1-2H3
• InChIKey: VIKHMEKAWKJJEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(5-formylpyrimidin-2-yl)(methyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(5-formylpyrimidin-2-yl)(methyl)amino]acetate
• Synonyms: ethyl N-(5-formylpyrimidin-2-yl)-N-methylglycinate

Database IDs

• CAS Number: 915921-80-1
• MDL Number: MFCD08691670

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.5297529
• LogD (pH = 7.4): 0.52975297
• Log P: 0.529753
• Molar Refractivity: 59.2832 cm^3
• Polarizability: 21.622837 Å^3
• Polar Surface Area: 72.39 Å^2