Compound Identification
SMILES
CCOCC1=NN2C(N=C(C=C2C2=CC=C(F)C=C2)N(CC)CCO)=C1C1=CC=C(Cl)C=C1
InChIKey
InChIKey=RINGSIDZBGZJIW-UHFFFAOYSA-N
Formula
C25H26ClFN4O2
Mass
468.96
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
Phenylpyrazoles Pyrazolo[1,5-a]pyrimidines Dialkylarylamines Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Heteroaromatic compounds Alkanolamines Azacyclic compounds Dialkyl ethers Organochlorides Primary alcohols Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Phenylpyrazole - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Azole - Pyrazole - Ether - Dialkyl ether - Azacycle - Alkanolamine - Organohalogen compound - Organooxygen compound - Primary alcohol - Amine - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - 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