ethyl 6-(dimethoxymethyl)pyrimidine-4-carboxylate

• ChemBase ID: 803682
• Molecular Formular: C10H14N2O4
• Molecular Mass: 226.22916
• Monoisotopic Mass: 226.09535694
• SMILES: c1c(ncnc1C(OC)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1ncnc(c1)C(OC)OC
• InChI: InChI=1S/C10H14N2O4/c1-4-16-9(13)7-5-8(12-6-11-7)10(14-2)15-3/h5-6,10H,4H2,1-3H3
• InChIKey: ZWSZAFQDYFLISO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-(dimethoxymethyl)pyrimidine-4-carboxylate
• IUPAC Traditional name: ethyl 6-(dimethoxymethyl)pyrimidine-4-carboxylate
• Synonyms: ETHYL 6-(DIMETHOXYMETHYL)PYRIMIDINE-4-CARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.9075061
• LogD (pH = 7.4): 0.90750617
• Log P: 0.90750617
• Molar Refractivity: 56.1187 cm^3
• Polarizability: 21.805737 Å^3
• Polar Surface Area: 70.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%