Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=NC2=C(C=NN2C(=C1)C(F)(F)F)C(=O)N1CC[NH+](CC2=CC=CC=C2)CC1

InChIKey

InChIKey=HFKCGKDMHGFQPE-UHFFFAOYSA-O

Formula

C26H25F3N5O2

Mass

496.514

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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 - Phenoxy compound - Anisole - Pyrazole-4-carboxamide - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - Benzenoid - 1,4-diazinane - Piperazine - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Tertiary carboxylic acid amide - Quaternary ammonium salt - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Alkyl halide - Organic oxygen compound - Alkyl fluoride - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Amine - Organooxygen compound - 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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