Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=IJSBZTYYQLLXFB-UHFFFAOYSA-O

Formula

C27H26ClF3N5O3

Mass

560.98

Export to:

JSON SDF CSV

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

Dimethoxybenzenes Pyrazolo[1,5-a]pyrimidines 2-heteroaryl carboxamides Anisoles Benzylamines Pyrazole-5-carboxamides Phenylmethylamines Phenoxy compounds Alkyl aryl ethers Aralkylamines N-alkylpiperazines Aryl chlorides Heteroaromatic compounds Quaternary ammonium salts Tertiary carboxylic acid amides Vinylogous halides Trialkylamines Amino acids and derivatives Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-phenylpyrimidine - O-dimethoxybenzene - Dimethoxybenzene - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - 2-heteroaryl carboxamide - Phenoxy compound - Anisole - Benzylamine - Pyrazole-5-carboxamide - Phenol ether - Phenylmethylamine - Methoxybenzene - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Vinylogous halide - Pyrazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Quaternary ammonium salt - Azole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organic oxide - Alkyl halide - Organochloride - Alkyl fluoride - Organic nitrogen compound - Organofluoride - Organonitrogen compound - 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

Previous Back Next