Compound Identification
SMILES
CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C(F)(F)F)C1=CC(NC2=CC=CC3=C2CC(O)C3)=NC=N1
InChIKey
InChIKey=JKUHWEANRMZDIK-UHFFFAOYSA-N
Formula
C25H25F3N4O3
Mass
486.495
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
Phenylcarbamic acid esters Trifluoromethylbenzenes Indanes Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Carbamate esters Secondary alcohols Secondary amines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Phenylcarbamic acid ester - Trifluoromethylbenzene - Indane - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Carbamic acid ester - Secondary alcohol - Azacycle - Secondary amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alcohol - Organic nitrogen compound - Amine - Alkyl fluoride - 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