ethyl 2-tert-butyl-6-(dimethoxymethyl)pyrimidine-4-carboxylate

• ChemBase ID: 803685
• Molecular Formular: C14H22N2O4
• Molecular Mass: 282.33548
• Monoisotopic Mass: 282.15795719
• SMILES: c1c(nc(nc1C(OC)OC)C(C)(C)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cc(nc(n1)C(C)(C)C)C(OC)OC
• InChI: InChI=1S/C14H22N2O4/c1-7-20-11(17)9-8-10(12(18-5)19-6)16-13(15-9)14(2,3)4/h8,12H,7H2,1-6H3
• InChIKey: NSSPSQCOBYRVAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-tert-butyl-6-(dimethoxymethyl)pyrimidine-4-carboxylate
• IUPAC Traditional name: ethyl 2-tert-butyl-6-(dimethoxymethyl)pyrimidine-4-carboxylate
• Synonyms: ETHYL 2-TERT-BUTYL-6-(DIMETHOXYMETHYL)PYRIMIDINE-4-CARBOXYLATE

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.9608727
• Log P: 2.9608727
• Molar Refractivity: 74.4455 cm^3
• Polarizability: 29.04493 Å^3
• Polar Surface Area: 70.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9608727

PROPERTIES

Product Information

• Purity: 98%