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CAS 1245646-90-5

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Methyl (βR)-1,6-dihydro-4-hydroxy-β-methyl-6-oxo-5-pyrimidinepropanoate

Description:
Methyl (βR)-1,6-dihydro-4-hydroxy-β-methyl-6-oxo-5-pyrimidinepropanoate, identified by its CAS number 1245646-90-5, is a chemical compound that belongs to the class of pyrimidine derivatives. This substance features a pyrimidine ring, which is a six-membered aromatic heterocycle containing nitrogen atoms. The compound is characterized by the presence of a hydroxyl group (-OH) and a keto group (C=O), contributing to its reactivity and potential biological activity. The methyl ester functional group indicates that it can undergo hydrolysis to release the corresponding acid. Its stereochemistry, denoted by the βR configuration, suggests specific spatial arrangements of its substituents, which can influence its interactions and properties. This compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that could interact with biological targets. However, specific details regarding its solubility, stability, and biological activity would require further investigation through experimental studies.
Formula:C9H12N2O4
InChI:InChI=1S/C9H12N2O4/c1-5(3-6(12)15-2)7-8(13)10-4-11-9(7)14/h4-5H,3H2,1-2H3,(H2,10,11,13,14)/t5-/m1/s1
InChI key:InChIKey=XLADYKVTZFVWDT-RXMQYKEDSA-N
SMILES:[C@H](CC(OC)=O)(C)C=1C(=O)NC=NC1O
Synonyms:
  • (r)-Methyl 3-(4,6-dihydroxypyrimidin-5-yl)butanoate
  • Methyl (βR)-1,6-dihydro-4-hydroxy-β-methyl-6-oxo-5-pyrimidinepropanoate
  • 5-Pyrimidinepropanoic acid, 1,6-dihydro-4-hydroxy-β-methyl-6-oxo-, methyl ester, (βR)-
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