Compound Identification
SMILES
C[C@@H](NC1=C(C(Cl)=NC2=NC=NN12)C1=C(F)C=C(OCCCN2CCCC2)C=C1F)C(F)(F)F
InChIKey
InChIKey=MEZUNAKNPOIBGG-GFCCVEGCSA-N
Formula
C21H22ClF5N6O
Mass
504.89
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
Triazolopyrimidines Phenoxy compounds Phenol ethers Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Halopyrimidines Aryl chlorides Aryl fluorides N-alkylpyrrolidines Triazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organochlorides Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Triazolopyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen 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