Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.CCN(CC)CCNC1=NC(=C2CNC(=O)N(C2=N1)C1=C(F)C=CC=C1F)C1=CC=CC=C1C

InChIKey

InChIKey=PCBJKZBNSZQBKE-UHFFFAOYSA-N

Formula

C27H29F5N6O3

Mass

580.56

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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

Not available

Substituents

4-phenylpyrimidine - Aminopyrimidine - Fluorobenzene - Halobenzene - Toluene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Organohalogen compound - Carbonyl group - Organofluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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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