ethyl 2-amino-6-(dimethoxymethyl)pyrimidine-4-carboxylate

• ChemBase ID: 803688
• Molecular Formular: C10H15N3O4
• Molecular Mass: 241.2438
• Monoisotopic Mass: 241.10625598
• SMILES: c1c(nc(nc1C(OC)OC)N)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cc(nc(n1)N)C(OC)OC
• InChI: InChI=1S/C10H15N3O4/c1-4-17-8(14)6-5-7(9(15-2)16-3)13-10(11)12-6/h5,9H,4H2,1-3H3,(H2,11,12,13)
• InChIKey: RZFKFIMXMLDAQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-amino-6-(dimethoxymethyl)pyrimidine-4-carboxylate
• IUPAC Traditional name: ethyl 2-amino-6-(dimethoxymethyl)pyrimidine-4-carboxylate
• Synonyms: ETHYL 2-AMINO-6-(DIMETHOXYMETHYL)PYRIMIDINE-4-CARBOXYLATE

CALCULATED PROPERTIES

• Acid pKa: 15.557402
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.7573626
• LogD (pH = 7.4): 0.7573662
• Log P: 0.75736624
• Molar Refractivity: 60.7651 cm^3
• Polarizability: 22.972538 Å^3
• Polar Surface Area: 96.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%