Compound Identification
SMILES
FC(F)(F)C1=CC=CC=C1C1=NC2=C(NC3=CC=CC=C3)C=NN2C=C1
InChIKey
InChIKey=MQRPRJXGQBRCHY-UHFFFAOYSA-N
Formula
C19H13F3N4
Mass
354.336
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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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
Phenylpyrimidines
Alternative Parents
Trifluoromethylbenzenes Pyrazolo[1,5-a]pyrimidines Aniline and substituted anilines Primary aromatic amines Pyrazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Trifluoromethylbenzene - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Aniline or substituted anilines - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Secondary amine - Alkyl halide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl fluoride - Amine - 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