Compound Identification
SMILES
COC1=CC(OC)=C(NC2=NC(C)=NC(=C2N)C2=CC=CC=C2C(F)(F)F)C(Br)=C1
InChIKey
InChIKey=SKWRPKFNOGMRDP-UHFFFAOYSA-N
Formula
C20H18BrF3N4O2
Mass
483.289
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
Trifluoromethylbenzenes Dimethoxybenzenes Methoxyanilines Phenoxy compounds Anisoles Alkyl aryl ethers Aminopyrimidines and derivatives Bromobenzenes Imidolactams Aryl bromides Heteroaromatic compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives Organobromides Organofluorides Alkyl fluorides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Dimethoxybenzene - Trifluoromethylbenzene - M-dimethoxybenzene - Methoxyaniline - Anisole - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Aminopyrimidine - Alkyl aryl ether - Bromobenzene - Halobenzene - Imidolactam - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Secondary amine - Ether - Amine - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Alkyl halide - 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