Compound Identification
SMILES
CC1(C)C[C@@H](CC(=C)N1)NC1=NC=CC(=N1)C1=CC=C(CCC(O)=O)C=C1
InChIKey
InChIKey=SGJHMQNCECOQMP-QGZVFWFLSA-N
Formula
C21H26N4O2
Mass
366.465
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Phenylpropanoic acids Aminopyrimidines and derivatives Piperidines Benzene and substituted derivatives Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Enamines Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - 3-phenylpropanoic-acid - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Piperidine - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - 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