Compound Identification
SMILES
C[NH+]1CCN(CC1)C(=O)C1=NN2C(N=C(C=C2C(F)(F)F)C2=CC=C(Br)C=C2)=C1Br
InChIKey
InChIKey=RBMIAGCMMUKOLZ-UHFFFAOYSA-O
Formula
C19H17Br2F3N5O
Mass
548.182
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
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 N-methylpiperazines Aryl bromides Heteroaromatic compounds Vinylogous halides Tertiary carboxylic acid amides Quaternary ammonium salts Trialkylamines Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organofluorides Organobromides Organic oxides Alkyl fluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Bromobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Quaternary ammonium salt - Vinylogous halide - Pyrazole - Heteroaromatic compound - Azole - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Alkyl fluoride - Organic oxygen compound - Organohalogen compound - Organobromide - Organofluoride - Organic nitrogen compound - Amine - Organonitrogen compound - Alkyl halide - Organooxygen compound - Organic oxide - 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