Compound Identification
SMILES
FC(F)(F)C1=CC(=NC2=CC(=NN12)C(=O)NCC[NH+]1CCOCC1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=DBRYDYCPXWQHNF-UHFFFAOYSA-O
Formula
C20H20BrF3N5O2
Mass
499.312
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 2-heteroaryl carboxamides Pyrazole-5-carboxamides Bromobenzenes Morpholines Aryl bromides Heteroaromatic compounds Quaternary ammonium salts Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Oxazinane - Morpholine - Monocyclic benzene moiety - Benzenoid - Pyrazole - Azole - Quaternary ammonium salt - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organooxygen compound - Amine - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Organofluoride - 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