Compound Identification
SMILES
OC(=O)C(F)(F)F.CC1=C(C(=O)N(C[C@H](N)C2=CC=CC=C2)C(=O)N1CC1=CC=CC=C1Br)C1=CC=CC=C1F
InChIKey
InChIKey=LNKGRZREPFRNLV-BQAIUKQQSA-N
Formula
C28H24BrF4N3O4
Mass
622.415
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
Pyrimidones Aralkylamines Fluorobenzenes Bromobenzenes Aryl bromides Aryl fluorides Hydropyrimidines Vinylogous amides Alpha-halocarboxylic acids Heteroaromatic compounds Ureas Lactams Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organobromides Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
5-phenylpyrimidine - Aralkylamine - Pyrimidone - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Hydropyrimidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organobromide - Organonitrogen compound - Organooxygen compound - Organofluoride - Alkyl halide - Carbonyl group - Primary amine - Alkyl fluoride - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic 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