Compound Identification
SMILES
CC1=CC(NC(=O)NC2=CC=C(C=C2)C2=CN=C(NCCN3CCOCC3)N=C2)=C(F)C=C1
InChIKey
InChIKey=KTAQMNBLMYYEAS-UHFFFAOYSA-N
Formula
C24H27FN6O2
Mass
450.518
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
N-phenylureas Toluenes Secondary alkylarylamines Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Morpholines Heteroaromatic compounds Ureas Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - N-phenylurea - Aminopyrimidine - Fluorobenzene - Halobenzene - Toluene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazinane - Morpholine - Heteroaromatic compound - Tertiary aliphatic amine - Urea - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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