Compound Identification
SMILES
CCOC(=O)C1=C(N=C(C)N=C1C(=O)N1CCN(C(C)C1)C(=O)NC1=CC=CC=C1Br)C1=CC=CC=C1
InChIKey
InChIKey=PGPLSFXEEBJCRO-UHFFFAOYSA-N
Formula
C27H28BrN5O4
Mass
566.456
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
N-phenylureas Piperazine carboxamides Pyrimidinecarboxylic acids 2-heteroaryl carboxamides Bromobenzenes Aryl bromides Heteroaromatic compounds Tertiary carboxylic acid amides Ureas Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - N-phenylurea - Piperazine-1-carboxamide - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Urea - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen 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