Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=NC2=C(C=NN2C(=C1)C(F)(F)F)C(=O)NC(C)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=BGRAQDHQHKQFEB-UHFFFAOYSA-N
Formula
C24H20ClF3N4O3
Mass
504.89
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 Pyrimidinecarboxamides Pyrazolo[1,5-a]pyrimidines Pyrazole-4-carboxamides Phenoxy compounds Anisoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organonitrogen compounds Organochlorides Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Dimethoxybenzene - O-dimethoxybenzene - Pyrazolopyrimidine - Pyrimidinecarboxamide - Pyrazolo[1,5-a]pyrimidine - Anisole - Phenol ether - Phenoxy compound - Pyrazole-4-carboxamide - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Azole - Pyrazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Alkyl halide - Organohalogen compound - Organic oxygen compound - Organochloride - Organofluoride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - 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