ethyl 6-formyl-2-methoxypyrimidine-4-carboxylate

• ChemBase ID: 803694
• Molecular Formular: C9H10N2O4
• Molecular Mass: 210.1867
• Monoisotopic Mass: 210.06405681
• SMILES: c1c(nc(nc1C=O)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cc(C=O)nc(n1)OC
• InChI: InChI=1S/C9H10N2O4/c1-3-15-8(13)7-4-6(5-12)10-9(11-7)14-2/h4-5H,3H2,1-2H3
• InChIKey: DHZHQHLBISVADS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-formyl-2-methoxypyrimidine-4-carboxylate
• IUPAC Traditional name: ethyl 6-formyl-2-methoxypyrimidine-4-carboxylate
• Synonyms: ETHYL 6-FORMYL-2-METHOXYPYRIMIDINE-4-CARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5040308
• LogD (pH = 7.4): 1.504031
• Log P: 1.504031
• Molar Refractivity: 51.7322 cm^3
• Polarizability: 19.372 Å^3
• Polar Surface Area: 78.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%