Compound Identification
SMILES
CC1=C(C)C2=C(N1)C(NC1=NC=NC(=C1)C1=CC=C(C=C1)C(F)(F)F)=CC=C2
InChIKey
InChIKey=LITXSTRZPKRVQF-UHFFFAOYSA-N
Formula
C21H17F3N4
Mass
382.39
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 3-methylindoles Aminopyrimidines and derivatives Substituted pyrroles Imidolactams Heteroaromatic compounds Secondary amines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Trifluoromethylbenzene - 3-methylindole - 3-alkylindole - Indole - Indole or derivatives - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Secondary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Amine - 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