ethyl 2-[4-(dimethoxymethyl)pyrimidin-2-yl]acetate

• ChemBase ID: 803691
• Molecular Formular: C11H16N2O4
• Molecular Mass: 240.25574
• Monoisotopic Mass: 240.111007
• SMILES: O(C(=O)Cc1nc(ccn1)C(OC)OC)CC
• Canonical SMILES: CCOC(=O)Cc1nccc(n1)C(OC)OC
• InChI: InChI=1S/C11H16N2O4/c1-4-17-10(14)7-9-12-6-5-8(13-9)11(15-2)16-3/h5-6,11H,4,7H2,1-3H3
• InChIKey: BZPQYWBKZMWLJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[4-(dimethoxymethyl)pyrimidin-2-yl]acetate
• IUPAC Traditional name: ethyl 2-[4-(dimethoxymethyl)pyrimidin-2-yl]acetate
• Synonyms: ETHYL [4-(DIMETHOXYMETHYL)PYRIMIDIN-2-YL]ACETATE

CALCULATED PROPERTIES

• Acid pKa: 19.372194
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0610845
• LogD (pH = 7.4): 1.0610871
• Log P: 1.0610871
• Molar Refractivity: 60.203 cm^3
• Polarizability: 23.645605 Å^3
• Polar Surface Area: 70.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%