Compound Identification
SMILES
CCCN(C1CCN(C[C@H]2CN(C[C@@H]2C2=CC=CC=C2)[C@H](C2CCCCC2)C(O)=O)CC1)C1=NC=CC(=N1)C1=CC=CC=C1
InChIKey
InChIKey=CGZMXWKXHGIMFX-LWKLBADKSA-N
Formula
C37H49N5O2
Mass
595.832
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
Phenylpyrrolidines D-alpha-amino acids Dialkylarylamines Aminopyrimidines and derivatives Aralkylamines Piperidines Benzene and substituted derivatives N-alkylpyrrolidines Pyrroles Heteroaromatic compounds Amino acids Trialkylamines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - 3-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Dialkylarylamine - Aralkylamine - Aminopyrimidine - Benzenoid - N-alkylpyrrolidine - Piperidine - Monocyclic benzene moiety - Pyrrolidine - Pyrrole - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - 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