Compound Identification
SMILES
CN1C(C)=NC2=C(N(CC3=C(Cl)C=CC(F)=C3)C(N3CCC[C@@H](N)C3)=C2C#N)C1=O
InChIKey
InChIKey=NUSCEWJSAIDLKG-OAHLLOKOSA-N
Formula
C21H22ClFN6O
Mass
428.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrrolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyrimidines
Alternative Parents
Dialkylarylamines Pyrimidones Aminopiperidines Chlorobenzenes Fluorobenzenes Substituted pyrroles Aryl chlorides Aryl fluorides Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organooxygen compounds Monoalkylamines Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine - Dialkylarylamine - 3-aminopiperidine - Chlorobenzene - Fluorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyrimidine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary amine - Lactam - Azacycle - Carbonitrile - Nitrile - Organooxygen compound - Organohalogen compound - Organochloride - Primary aliphatic amine - Organic oxygen compound - Organic oxide - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Amine - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. 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