Compound Identification
SMILES
COC1=CC=CC(=C1)C1=C(C)N(CC2=C(F)C=CC=C2F)C(=O)N(C[C@@H](C)N(C)CC2=CC=CC=C2)C1=O
InChIKey
InChIKey=IPCZJLSGFREFJV-HXUWFJFHSA-N
Formula
C30H31F2N3O3
Mass
519.593
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 Benzylamines Methoxybenzenes Phenoxy compounds Phenylmethylamines Aralkylamines Fluorobenzenes Alkyl aryl ethers Pyrimidones Aryl fluorides Hydropyrimidines Heteroaromatic compounds Vinylogous amides Lactams Trialkylamines Ureas Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Phenoxy compound - Anisole - Phenylmethylamine - Benzylamine - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyrimidone - Aralkylamine - Fluorobenzene - Halobenzene - Hydropyrimidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Lactam - Tertiary aliphatic amine - Urea - Tertiary amine - Ether - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen 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