Structure Information
Structure

Compound Identification

SMILES

C[NH+]1CCN(CC1)C(=O)C1=NN2C(N=C(C=C2C(F)(F)F)C2=CC=C(Br)C=C2)=C1Br

InChIKey

InChIKey=RBMIAGCMMUKOLZ-UHFFFAOYSA-O

Formula

C19H17Br2F3N5O

Mass

548.182

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Bromobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Quaternary ammonium salt - Vinylogous halide - Pyrazole - Heteroaromatic compound - Azole - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Alkyl fluoride - Organic oxygen compound - Organohalogen compound - Organobromide - Organofluoride - Organic nitrogen compound - Amine - Organonitrogen compound - Alkyl halide - Organooxygen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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