Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NC2=C(C=NN2C(=C1)C(F)(F)F)C(=O)N1CCN(CC2=CC=CC=C2)CC1
InChIKey
InChIKey=HFKCGKDMHGFQPE-UHFFFAOYSA-N
Formula
C26H24F3N5O2
Mass
495.506
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 Anisoles Benzylamines Methoxybenzenes Pyrazole-4-carboxamides Phenylmethylamines Phenoxy compounds Alkyl aryl ethers Aralkylamines N-alkylpiperazines Tertiary carboxylic acid amides Heteroaromatic compounds Vinylogous amides Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Anisole - Phenoxy compound - Benzylamine - Phenol ether - Pyrazole-4-carboxamide - Phenylmethylamine - Methoxybenzene - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Vinylogous amide - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrazole - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic oxide - Alkyl fluoride - Organohalogen compound - Organic oxygen compound - Organofluoride - Alkyl halide - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - 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