Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NC2=C(C=NN2C(=C1)C(F)(F)F)C(=O)N1CC[NH+](CC2=CC=CC=C2)CC1
InChIKey
InChIKey=HFKCGKDMHGFQPE-UHFFFAOYSA-O
Formula
C26H25F3N5O2
Mass
496.514
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 Phenylmethylamines Phenoxy compounds Anisoles Methoxybenzenes Benzylamines Alkyl aryl ethers N-alkylpiperazines Aralkylamines Vinylogous amides Tertiary carboxylic acid amides Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Phenoxy compound - Anisole - Pyrazole-4-carboxamide - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - Benzenoid - 1,4-diazinane - Piperazine - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Tertiary carboxylic acid amide - Quaternary ammonium salt - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Alkyl halide - Organic oxygen compound - Alkyl fluoride - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Amine - Organooxygen compound - 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