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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H21N5.ClH
Molecular Weight 295.811
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((3R,4R)-1,4-dimethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride

SMILES

Cl.C[C@@H]1CCN(C)C[C@@H]1N(C)C2=NC=NC3=C2C=CN3

InChI

InChIKey=BPOGPTJMONRLTL-IYJPBCIQSA-N
InChI=1S/C14H21N5.ClH/c1-10-5-7-18(2)8-12(10)19(3)14-11-4-6-15-13(11)16-9-17-14;/h4,6,9-10,12H,5,7-8H2,1-3H3,(H,15,16,17);1H/t10-,12+;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H21N5
Molecular Weight 259.35
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:12:10 GMT 2025
Edited
by admin
on Wed Apr 02 20:12:10 GMT 2025
Record UNII
57H4GJK8H5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-[(3R,4R)-1,4-dimethyl-3-piperidinyl]-N-methyl-, hydrochloride (1:1)
Preferred Name English
N-((3R,4R)-1,4-dimethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
78358282
Created by admin on Wed Apr 02 20:12:10 GMT 2025 , Edited by admin on Wed Apr 02 20:12:10 GMT 2025
PRIMARY
FDA UNII
57H4GJK8H5
Created by admin on Wed Apr 02 20:12:10 GMT 2025 , Edited by admin on Wed Apr 02 20:12:10 GMT 2025
PRIMARY
CAS
2803376-19-2
Created by admin on Wed Apr 02 20:12:10 GMT 2025 , Edited by admin on Wed Apr 02 20:12:10 GMT 2025
PRIMARY
Related Record Type Details
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