Compound Identification
SMILES
CC(O)(CN1C2=C(C3CCCN3CC2)C2=NC(CF)=NC=C12)C1=CN=C(C=C1)C(F)(F)F
InChIKey
InChIKey=BPXBPXYPOFESQN-UHFFFAOYSA-N
Formula
C22H23F4N5O
Mass
449.454
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
Aralkylamines Substituted pyrroles Pyrimidines and pyrimidine derivatives Pyridines and derivatives N-alkylpyrrolidines Tertiary alcohols Heteroaromatic compounds Trialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine - Aralkylamine - Pyridine - Pyrimidine - Substituted pyrrole - N-alkylpyrrolidine - Heteroaromatic compound - Tertiary alcohol - Pyrrole - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Aromatic alcohol - Amine - 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