CHEBI:170005 - 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

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ChEBI Name 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
ChEBI ID CHEBI:170005
ChEBI ASCII Name 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Definition A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by (1-phenylethyl)amino and 4-[(4-ethylpiperazin-1-yl)methyl]phenyl groups at positions 4 and 6, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H32N6
Net Charge 0
Average Mass 440.595
Monoisotopic Mass 440.26885
InChI InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)
InChIKey OONFNUWBHFSNBT-UHFFFAOYSA-N
SMILES CCN1CCN(CC2=CC=C(C=C2)C2=CC3=C(NC(C)C4=CC=CC=C4)N=CN=C3N2)CC1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CHEBI:170005) is a N-alkylpiperazine (CHEBI:46845)
6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CHEBI:170005) is a benzenes (CHEBI:22712)
6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CHEBI:170005) is a pyrrolopyrimidine (CHEBI:38670)
6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CHEBI:170005) is a secondary amino compound (CHEBI:50995)
Incoming AEE788 (CHEBI:40629) is a 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CHEBI:170005)
IUPAC Name
6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Registry Number Type Source
1155336-34-7 CAS Registry Number PubChem
Last Modified
23 April 2021
General Comment
2021-04-23 This is the entry for material with unspecified stereochemistry.