CAS 1076198-55-4

1,1-Dimethylethyl N-(2-methyl-5-nitrophenyl)-N-[4-(3-pyridinyl)-2-pyrimidinyl]carbamate

Description:

1,1-Dimethylethyl N-(2-methyl-5-nitrophenyl)-N-[4-(3-pyridinyl)-2-pyrimidinyl]carbamate, identified by its CAS number 1076198-55-4, is a synthetic organic compound characterized by its complex molecular structure, which includes multiple functional groups. This compound features a carbamate functional group, which is known for its role in various biological activities, including potential herbicidal or pesticidal properties. The presence of nitrophenyl and pyrimidinyl moieties suggests that it may exhibit specific interactions with biological targets, potentially influencing its efficacy in agricultural applications. The dimethyl substituents contribute to its steric properties, which can affect its solubility and reactivity. Additionally, the compound's molecular weight and polarity are influenced by its substituents, impacting its behavior in different environments. Overall, this compound's unique structure may confer specific pharmacological or agrochemical properties, making it of interest in research and development within the fields of chemistry and agriculture.

Formula: C₂₁H₂₁N₅O₄

InChI: InChI=1S/C21H21N5O4/c1-14-7-8-16(26(28)29)12-18(14)25(20(27)30-21(2,3)4)19-23-11-9-17(24-19)15-6-5-10-22-13-15/h5-13H,1-4H3

InChI key: InChIKey=WVHXRTOGRKVTRA-UHFFFAOYSA-N

SMILES: N(C(OC(C)(C)C)=O)(C1=CC(N(=O)=O)=CC=C1C)C=2N=C(C=CN2)C=3C=CC=NC3

Synonyms:

• Carbamic acid, N-(2-methyl-5-nitrophenyl)-N-[4-(3-pyridinyl)-2-pyrimidinyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-(2-methyl-5-nitrophenyl)-N-[4-(3-pyridinyl)-2-pyrimidinyl]carbamate