CHEBI:145528 - N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

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ChEBI Name N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
ChEBI ID CHEBI:145528
ChEBI ASCII Name N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
Definition A thienopyrimidine that is 5,6-dimethylthieno[2,3-d]pyrimidin-4-amine in which the amino group at position 4 has been substituted by an N-(1-benzylpyrrolidin-3-yl) group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H22N4S
Net Charge 0
Average Mass 338.470
Monoisotopic Mass 338.15652
InChI InChI=1S/C19H22N4S/c1-13-14(2)24-19-17(13)18(20-12-21-19)22-16-8-9-23(11-16)10-15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H,20,21,22)
InChIKey VSXRMURGJRAOCU-UHFFFAOYSA-N
SMILES C=12C(=C(N=CN1)NC3CN(CC3)CC=4C=CC=CC4)C(=C(S2)C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CHEBI:145528) is a pyrrolidines (CHEBI:38260)
N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CHEBI:145528) is a secondary amino compound (CHEBI:50995)
N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CHEBI:145528) is a tertiary amino compound (CHEBI:50996)
N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CHEBI:145528) is a thienopyrimidine (CHEBI:143212)
Incoming (R)-Fasnall (CHEBI:145533) is a N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CHEBI:145528)
(S)-Fasnall (CHEBI:145534) is a N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CHEBI:145528)
IUPAC Name
N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
Registry Number Type Source
929978-58-5 CAS Registry Number ChEBI
Last Modified
27 November 2019
General Comment
2019-11-27 Note that is the entry for material with unspecified stereochemistry. There are separate entries for the individual enantiomers [(R)-fasnall and (S)-Fasnall] and for the racemate (Fasnall).