Structure Information
Structure

Compound Identification

SMILES

FC(F)(F)C1=CC(=NC2=C(C=NN12)C(=O)N1CC[NH+]2CCC[C@@H]2C1)C1=CC=C(Br)C=C1

InChIKey

InChIKey=KYJVEVYPMJPTRN-OAHLLOKOSA-O

Formula

C21H20BrF3N5O

Mass

495.324

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