Compound Identification
SMILES
CC1=C(C=CC(F)=C1)C1=C2C=CC(=O)N(C3CC3)C2=NC(NC(CO)CO)=N1
InChIKey
InChIKey=CUXRAPJKMCMPNT-UHFFFAOYSA-N
Formula
C20H21FN4O3
Mass
384.411
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Pyrido[2,3-d]pyrimidines Toluenes Pyridinones Fluorobenzenes Aminopyrimidines and derivatives Aryl fluorides Heteroaromatic compounds Lactams Azacyclic compounds Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyridopyrimidine - Pyrido[2,3-d]pyrimidine - Aminopyrimidine - Fluorobenzene - Halobenzene - Pyridinone - Toluene - Aryl fluoride - Pyridine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactam - Azacycle - Organic oxide - Organofluoride - Organohalogen compound - Organonitrogen compound - Alcohol - Amine - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - 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