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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H18ClN5
Molecular Weight 279.769
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

C[C@@H]1CCNC[C@@H]1N(C)C2=C3C=CNC3=NC(Cl)=N2

InChI

InChIKey=HXKHQCADGODNAT-SCZZXKLOSA-N
InChI=1S/C13H18ClN5/c1-8-3-5-15-7-10(8)19(2)12-9-4-6-16-11(9)17-13(14)18-12/h4,6,8,10,15H,3,5,7H2,1-2H3,(H,16,17,18)/t8-,10+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H18ClN5
Molecular Weight 279.769
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 Sat Dec 16 19:12:54 GMT 2023
Edited
by admin
on Sat Dec 16 19:12:54 GMT 2023
Record UNII
ST989R9NYW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Chloro-N-methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Common Name English
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 2-chloro-N-methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-
Systematic Name English
Code System Code Type Description
CAS
1616760-97-4
Created by admin on Sat Dec 16 19:12:54 GMT 2023 , Edited by admin on Sat Dec 16 19:12:54 GMT 2023
PRIMARY
FDA UNII
ST989R9NYW
Created by admin on Sat Dec 16 19:12:54 GMT 2023 , Edited by admin on Sat Dec 16 19:12:54 GMT 2023
PRIMARY
PUBCHEM
78358405
Created by admin on Sat Dec 16 19:12:54 GMT 2023 , Edited by admin on Sat Dec 16 19:12:54 GMT 2023
PRIMARY