Compound Identification
SMILES
COC1=CC=CC=C1C1=CC(=NC(=N1)N1CCN(CC1)C1=CC=C(F)C=C1)C(F)(F)F
InChIKey
InChIKey=MQFUEFFPZDLDDW-UHFFFAOYSA-N
Formula
C22H20F4N4O
Mass
432.423
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
Phenylpiperazines N-arylpiperazines Aniline and substituted anilines Anisoles Dialkylarylamines Methoxybenzenes Phenoxy compounds Fluorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-arylpiperazine - Phenylpiperazine - 4-phenylpyrimidine - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Heteroaromatic compound - Tertiary amine - Azacycle - Ether - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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