Compound Identification
SMILES
C[C@@H](NC1=C(C(Cl)=NC2=NC=CN12)C1=C(F)C=C(OCCCN(C)C)C=C1F)C(F)(F)F
InChIKey
InChIKey=GBQJEIAOWXKFIB-LLVKDONJSA-N
Formula
C20H21ClF5N5O
Mass
477.86
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
Imidazo[1,2-a]pyrimidines Phenoxy compounds Phenol ethers Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Halopyrimidines Aryl chlorides N-substituted imidazoles Aryl fluorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organochlorides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Imidazo[1,2-a]pyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Halopyrimidine - Halobenzene - Fluorobenzene - N-substituted imidazole - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Alkyl halide - Organochloride - Organohalogen 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