U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H27ClN4O3
Molecular Weight 394.896
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl ((1-((2-chloro-5-(3-hydroxyprop-1-yn-1-yl)pyrimidin-4-yl)amino) cyclohexyl)methyl)carbamate

SMILES

CC(C)(C)OC(=O)NCC1(CCCCC1)NC2=NC(Cl)=NC=C2C#CCO

InChI

InChIKey=DPNUMPBAWIPVMG-UHFFFAOYSA-N
InChI=1S/C19H27ClN4O3/c1-18(2,3)27-17(26)22-13-19(9-5-4-6-10-19)24-15-14(8-7-11-25)12-21-16(20)23-15/h12,25H,4-6,9-11,13H2,1-3H3,(H,22,26)(H,21,23,24)

HIDE SMILES / InChI

Approval Year

Name Type Language
Carbamic acid, N-[[1-[[2-chloro-5-(3-hydroxy-1-propyn-1-yl)-4-pyrimidinyl]amino]cyclohexyl]methyl]-, 1,1-dimethylethyl ester
Preferred Name English
tert-Butyl ((1-((2-chloro-5-(3-hydroxyprop-1-yn-1-yl)pyrimidin-4-yl)amino) cyclohexyl)methyl)carbamate
Systematic Name English
Code System Code Type Description
PUBCHEM
171651110
Created by admin on Wed Apr 02 19:53:27 GMT 2025 , Edited by admin on Wed Apr 02 19:53:27 GMT 2025
PRIMARY
CAS
2884520-25-4
Created by admin on Wed Apr 02 19:53:27 GMT 2025 , Edited by admin on Wed Apr 02 19:53:27 GMT 2025
PRIMARY
FDA UNII
K278MPW7CR
Created by admin on Wed Apr 02 19:53:27 GMT 2025 , Edited by admin on Wed Apr 02 19:53:27 GMT 2025
PRIMARY