Compound Identification
SMILES
COC1=CC=CC(=C1)C1=C(C)N(CC2=C(F)C=CC=C2F)C(=O)N(CCN(C)CCC2=CC=CC=N2)C1=O
InChIKey
InChIKey=JWKDAXNMZQKVPL-UHFFFAOYSA-N
Formula
C29H30F2N4O3
Mass
520.581
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
Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyrimidones Aralkylamines Fluorobenzenes Pyridines and derivatives Aryl fluorides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Trialkylamines Lactams Azacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Ether - Organic oxide - Organic nitrogen compound - Amine - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen 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