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

• ChemBase ID: 803686
• Molecular Formular: C11H16N2O5
• Molecular Mass: 256.25514
• Monoisotopic Mass: 256.10592162
• SMILES: c1c(nc(nc1C(OC)OC)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cc(nc(n1)OC)C(OC)OC
• InChI: InChI=1S/C11H16N2O5/c1-5-18-9(14)7-6-8(10(15-2)16-3)13-11(12-7)17-4/h6,10H,5H2,1-4H3
• InChIKey: JTRSBKOYKLSADW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.4286209
• LogD (pH = 7.4): 1.4286209
• Log P: 1.4286209
• Molar Refractivity: 62.5279 cm^3
• Polarizability: 24.369509 Å^3
• Polar Surface Area: 79.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%