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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19N5
Molecular Weight 245.324
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-METHYL-N-((3R,4R)-4-METHYLPIPERIDIN-3-YL)-7H-PYRROLO(2,3-D)PYRIMIDIN-4-AMINE

SMILES

C[C@]1([H])CCNC[C@]1([H])N(C)c2c3cc[nH]c3ncn2

InChI

InChIKey=XRIARWQZLGCQDM-KOLCDFICSA-N
InChI=1S/C13H19N5/c1-9-3-5-14-7-11(9)18(2)13-10-4-6-15-12(10)16-8-17-13/h4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,15,16,17)/t9-,11+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H19N5
Molecular Weight 245.324
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 Fri Jun 25 20:48:27 UTC 2021
Edited
by admin
on Fri Jun 25 20:48:27 UTC 2021
Record UNII
TD92PJW2H4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-METHYL-N-((3R,4R)-4-METHYLPIPERIDIN-3-YL)-7H-PYRROLO(2,3-D)PYRIMIDIN-4-AMINE
Systematic Name English
7H-PYRROLO(2,3-D)PYRIMIDIN-4-AMINE, N-METHYL-N-((3R,4R)-4-METHYL-3-PIPERIDINYL)-
Systematic Name English
TOFACITINIB IMPURITY M
Common Name English
Code System Code Type Description
PUBCHEM
23401507
Created by admin on Fri Jun 25 20:48:27 UTC 2021 , Edited by admin on Fri Jun 25 20:48:27 UTC 2021
PRIMARY
FDA UNII
TD92PJW2H4
Created by admin on Fri Jun 25 20:48:27 UTC 2021 , Edited by admin on Fri Jun 25 20:48:27 UTC 2021
PRIMARY
CAS
477600-74-1
Created by admin on Fri Jun 25 20:48:27 UTC 2021 , Edited by admin on Fri Jun 25 20:48:27 UTC 2021
PRIMARY
Related Record Type Details
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