Structure Information
Structure

Compound Identification

SMILES

FC(F)(F)C1=CC(=NC2=CC(=NN12)C(=O)N1CCN(CC1)C12CC3CC(CC(C3)C1)C2)C1=CC=CC=C1

InChIKey

InChIKey=CBVXDGRVVNIPGI-UHFFFAOYSA-N

Formula

C28H30F3N5O

Mass

509.577

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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 - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Amine - Organofluoride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Alkyl halide - 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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