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CAS 5900-45-8

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2-(5-cyano-6-methyl-2,4-dioxo-pyrimidin-1-yl)acetic acid

Description:
2-(5-cyano-6-methyl-2,4-dioxo-pyrimidin-1-yl)acetic acid, with CAS number 5900-45-8, is a chemical compound that belongs to the class of pyrimidine derivatives. This substance features a pyrimidine ring substituted with a cyano group and a methyl group, along with two keto groups, contributing to its dioxo functionality. The presence of the acetic acid moiety indicates that it has acidic properties, which can influence its solubility and reactivity. Typically, compounds of this nature exhibit biological activity, often serving as intermediates in the synthesis of pharmaceuticals or agrochemicals. The cyano group can enhance the compound's reactivity, making it a potential candidate for further chemical modifications. Additionally, the structural characteristics suggest that it may participate in hydrogen bonding, affecting its physical properties such as melting point and solubility in various solvents. Overall, this compound's unique structure and functional groups make it of interest in both synthetic chemistry and medicinal applications.
Formula:C8H7N3O4
InChI:InChI=1/C8H7N3O4/c1-4-5(2-9)7(14)10-8(15)11(4)3-6(12)13/h3H2,1H3,(H,12,13)(H,10,14,15)
SMILES:Cc1c(C#N)c(nc(=O)n1CC(=O)O)O
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