Compound Identification
SMILES
CN1CCN(CC2=CC=C(NC3=NC=C(C)C(=N3)C3=CC(=CC(Cl)=C3)C(F)(F)F)C=C2)CC1
InChIKey
InChIKey=TULSOYJWGYRJBD-UHFFFAOYSA-N
Formula
C24H25ClF3N5
Mass
475.94
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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 Aniline and substituted anilines Phenylmethylamines Benzylamines Aminopyrimidines and derivatives Aralkylamines N-methylpiperazines Chlorobenzenes Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Secondary amines Hydrocarbon derivatives Organochlorides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Trifluoromethylbenzene - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - Aminopyrimidine - Chlorobenzene - Halobenzene - Benzenoid - Piperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Organofluoride - Alkyl fluoride - Organonitrogen compound - Alkyl halide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteromonocyclic 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