Compound Identification
SMILES
CC1(C)CC(CC(C)(C)N1)NC1=NC(NC2=CC3=C(OCC4=CC=CN34)C=C2)=NC=C1F
InChIKey
InChIKey=PGRXJRINWODFNC-UHFFFAOYSA-N
Formula
C24H29FN6O
Mass
436.535
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 Halopyrimidines
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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
Halopyrimidines
Alternative Parents
Secondary alkylarylamines Aminopyrimidines and derivatives Alkyl aryl ethers Piperidines Imidolactams Benzenoids Aryl fluorides Pyrroles Heteroaromatic compounds Oxacyclic compounds Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl aryl ether - Aminopyrimidine - Halopyrimidine - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Imidolactam - Benzenoid - Piperidine - Heteroaromatic compound - Pyrrole - Oxacycle - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. 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