Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=NC2=C(Cl)C(=NN2C(=C1)C(F)(F)F)C(=O)N1CCCCC1C
InChIKey
InChIKey=FTIYHCDIPAAZSE-UHFFFAOYSA-N
Formula
C22H22ClF3N4O3
Mass
482.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
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 N-acylpiperidines 2-heteroaryl carboxamides Pyrazole-5-carboxamides Phenoxy compounds Anisoles Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Vinylogous halides Tertiary carboxylic acid amides Azacyclic compounds Organochlorides Hydrocarbon derivatives Organofluorides Organonitrogen compounds Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Dimethoxybenzene - O-dimethoxybenzene - N-acyl-piperidine - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Anisole - 2-heteroaryl carboxamide - Phenol ether - Phenoxy compound - Methoxybenzene - Pyrazole-5-carboxamide - Alkyl aryl ether - Aryl chloride - Benzenoid - Piperidine - Aryl halide - Monocyclic benzene moiety - Vinylogous halide - Tertiary carboxylic acid amide - Pyrazole - Heteroaromatic compound - Azole - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Alkyl halide - Organic nitrogen compound - Hydrocarbon derivative - 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