CAS 85301-39-9

Ethyl 2-amino-3,4-dihydro-4-oxo-5-pyrimidineacetate

Description:

Ethyl 2-amino-3,4-dihydro-4-oxo-5-pyrimidineacetate, with the CAS number 85301-39-9, is a chemical compound that belongs to the class of pyrimidine derivatives. It features a pyrimidine ring, which is a six-membered aromatic ring containing two nitrogen atoms at positions 1 and 3. The compound is characterized by the presence of an ethyl ester group, an amino group, and a keto group, contributing to its reactivity and potential biological activity. It is typically a white to off-white solid, soluble in polar solvents, and may exhibit moderate stability under standard conditions. The presence of the amino group suggests potential for hydrogen bonding, which can influence its solubility and interaction with biological targets. This compound may be of interest in medicinal chemistry due to its structural features, which could be relevant for the development of pharmaceuticals or agrochemicals. However, specific applications and biological activities would require further investigation and research.

Formula: C₈H₁₁N₃O₃

InChI: InChI=1S/C8H11N3O3/c1-2-14-6(12)3-5-4-10-8(9)11-7(5)13/h4H,2-3H2,1H3,(H3,9,10,11,13)

InChI key: InChIKey=VANGCDAKWDTBHZ-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)C=1C(=O)NC(N)=NC1

Synonyms:

• 5-Pyrimidineacetic acid, 2-amino-3,4-dihydro-4-oxo-, ethyl ester
• 5-Pyrimidineacetic acid, 2-amino-1,4-dihydro-4-oxo-, ethyl ester
• Ethyl 2-amino-3,4-dihydro-4-oxo-5-pyrimidineacetate