Compound Identification
SMILES
CNCCCOC1=CC(F)=C(C(F)=C1)C1=C(N[C@@H](C)C(F)(F)F)N=C(N=C1Cl)C1=NC=CN=C1
InChIKey
InChIKey=CBWLEMXYPINBTA-NSHDSACASA-N
Formula
C21H20ClF5N6O
Mass
502.87
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
Phenoxy compounds Phenol ethers Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Halopyrimidines Pyrazines Aryl chlorides Aryl fluorides Imidolactams Heteroaromatic compounds Dialkylamines Azacyclic compounds Organofluorides Organochlorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrazine - Heteroaromatic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Ether - Organochloride - Hydrocarbon derivative - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen 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