ethyl 6-(dimethoxymethyl)-2-methylpyrimidine-4-carboxylate

• ChemBase ID: 803683
• Molecular Formular: C11H16N2O4
• Molecular Mass: 240.25574
• Monoisotopic Mass: 240.111007
• SMILES: c1c(nc(nc1C(OC)OC)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cc(nc(n1)C)C(OC)OC
• InChI: InChI=1S/C11H16N2O4/c1-5-17-10(14)8-6-9(11(15-3)16-4)13-7(2)12-8/h6,11H,5H2,1-4H3
• InChIKey: XMUBFVWVAUBUNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-(dimethoxymethyl)-2-methylpyrimidine-4-carboxylate
• IUPAC Traditional name: ethyl 6-(dimethoxymethyl)-2-methylpyrimidine-4-carboxylate
• Synonyms: ETHYL 6-(DIMETHOXYMETHYL)-2-METHYLPYRIMIDINE-4-CARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1853268
• LogD (pH = 7.4): 1.1853272
• Log P: 1.1853272
• Molar Refractivity: 60.7431 cm^3
• Polarizability: 23.558603 Å^3
• Polar Surface Area: 70.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%