Compound Identification
SMILES
FC(F)(F)C1=CC(=NC2=C(C=NN12)C(=O)NCC[NH+]1CCCCCC1)C1=CC=CC=C1
InChIKey
InChIKey=FCPXLODYSHSUOB-UHFFFAOYSA-O
Formula
C22H25F3N5O
Mass
432.471
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
Pyrazolo[1,5-a]pyrimidines Pyrazole-4-carboxamides Azepanes Benzene and substituted derivatives Heteroaromatic compounds Vinylogous amides Quaternary ammonium salts Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrazole-4-carboxamide - Azepane - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Quaternary ammonium salt - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl fluoride - Organic cation - 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