Compound Identification
SMILES
FC(F)(F)C1=CC(=NC2=C(C=NN12)C(=O)N1CC[NH+]2CCC[C@@H]2C1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=KYJVEVYPMJPTRN-OAHLLOKOSA-O
Formula
C21H20BrF3N5O
Mass
495.324
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 Bromobenzenes N-alkylpiperazines Aryl bromides N-alkylpyrrolidines Vinylogous amides Heteroaromatic compounds Tertiary carboxylic acid amides Quaternary ammonium salts Amino acids and derivatives Trialkylamines Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazole-4-carboxamide - Halobenzene - N-alkylpiperazine - Bromobenzene - Piperazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-alkylpyrrolidine - 1,4-diazinane - Benzenoid - Azole - Pyrrolidine - Quaternary ammonium salt - Pyrazole - Tertiary carboxylic acid amide - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Organobromide - Organohalogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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