ethyl 2-(dimethylamino)-6-formylpyrimidine-4-carboxylate

• ChemBase ID: 803697
• Molecular Formular: C10H13N3O3
• Molecular Mass: 223.22852
• Monoisotopic Mass: 223.09569129
• SMILES: c1c(nc(nc1C=O)N(C)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cc(C=O)nc(n1)N(C)C
• InChI: InChI=1S/C10H13N3O3/c1-4-16-9(15)8-5-7(6-14)11-10(12-8)13(2)3/h5-6H,4H2,1-3H3
• InChIKey: IQMRLZQASHTZAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(dimethylamino)-6-formylpyrimidine-4-carboxylate
• IUPAC Traditional name: ethyl 2-(dimethylamino)-6-formylpyrimidine-4-carboxylate
• Synonyms: ETHYL 2-(DIMETHYLAMINO)-6-FORMYLPYRIMIDINE-4-CARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7697418
• LogD (pH = 7.4): 1.769746
• Log P: 1.7697461
• Molar Refractivity: 59.6976 cm^3
• Polarizability: 21.61717 Å^3
• Polar Surface Area: 72.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%