Compound Identification
SMILES
COC1=CC(=O)NC(NC2=C(C=CC=N2)C(F)(F)F)=N1
InChIKey
InChIKey=NTPGJDKROIVMPJ-UHFFFAOYSA-N
Formula
C11H9F3N4O2
Mass
286.214
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyrimidones
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidones
Alternative Parents
Aminopyrimidines and derivatives Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Hydropyrimidines Vinylogous esters Heteroaromatic compounds Lactams Secondary amines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl aryl ether - Aminopyridine - Aminopyrimidine - Pyrimidone - Imidolactam - Pyridine - Hydropyrimidine - Heteroaromatic compound - Vinylogous ester - Lactam - Ether - Azacycle - Secondary amine - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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