Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C(CN(C)CCC2=CC=CC=N2)N2C(=N1)N(CC1=CC=CC=C1F)C(C)=C(C1=CC(=CC=C1)C(F)(F)F)C2=O
InChIKey
InChIKey=OTRHDMANIYRABG-UHFFFAOYSA-N
Formula
C37H33F4N5O2
Mass
655.698
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
Phenylimidazoles Trifluoromethylbenzenes Imidazopyrimidines Imidazo[1,2-a]pyrimidines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyrimidones Aralkylamines Fluorobenzenes Pyridines and derivatives N-substituted imidazoles Aryl fluorides Vinylogous amides Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - 5-phenylimidazole - 4-phenylimidazole - Trifluoromethylbenzene - Imidazopyrimidinone - Imidazo[1,2-a]pyrimidine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Benzenoid - Pyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Tertiary amine - Lactam - Tertiary aliphatic amine - Azacycle - Ether - Organooxygen compound - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen 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