CAS 75837-81-9

1,2,3,4-Tetrahydro-1-(4-methoxyphenyl)-2,4-dioxo-5-pyrimidinecarbonitrile

Description:

1,2,3,4-Tetrahydro-1-(4-methoxyphenyl)-2,4-dioxo-5-pyrimidinecarbonitrile is a chemical compound characterized by its complex structure, which includes a pyrimidine ring and various functional groups. This compound features a tetrahydro configuration, indicating the presence of a saturated cyclic structure, and it contains both dioxo and cyano groups, which contribute to its reactivity and potential biological activity. The methoxyphenyl substituent enhances its lipophilicity, potentially influencing its pharmacokinetic properties. The presence of the carbonitrile group may impart unique chemical reactivity, making it a candidate for various synthetic applications. This compound is of interest in medicinal chemistry, particularly for its potential therapeutic properties, which may include anti-inflammatory or anticancer activities. Its specific interactions and mechanisms of action would require further investigation through experimental studies. As with many organic compounds, safety data should be consulted before handling, as it may pose health risks depending on exposure levels.

Formula: C₁₂H₉N₃O₃

InChI: InChI=1S/C12H9N3O3/c1-18-10-4-2-9(3-5-10)15-7-8(6-13)11(16)14-12(15)17/h2-5,7H,1H3,(H,14,16,17)

InChI key: InChIKey=IUHGJPXHOBKFCM-UHFFFAOYSA-N

SMILES: O=C1N(C=C(C#N)C(=O)N1)C2=CC=C(OC)C=C2

Synonyms:

• 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-1-(4-methoxyphenyl)-2,4-dioxo-
• 1,2,3,4-Tetrahydro-1-(4-methoxyphenyl)-2,4-dioxo-5-pyrimidinecarbonitrile
• 1-(4-Methoxyphenyl)-2,4-dioxopyrimidine-5-carbonitrile
• 1-(4-Methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

1-(4-Methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

CAS: 75837-81-9

Formula: C₁₂H₉N₃O₃

Color and Shape: Solid

Molecular weight: 243.2182

Ref: IN-DA005I3M