Compound Identification
SMILES
CC(C)C1=C(C(NC2=CC=C(Cl)C=C2)=NC(=N1)N1CCC(CC1)N1CCCC(CCO)C1)C1=CC=CC=C1
InChIKey
InChIKey=PCWHGMOTZQBQRY-UHFFFAOYSA-N
Formula
C31H40ClN5O
Mass
534.15
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
Dialkylarylamines Aniline and substituted anilines Chlorobenzenes Aminopyrimidines and derivatives Aminopiperidines Imidolactams Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Primary alcohols Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Dialkylarylamine - Aniline or substituted anilines - 4-aminopiperidine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Imidolactam - Benzenoid - Aryl halide - Monocyclic benzene moiety - Piperidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Amine - 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