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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H14N4O3
Molecular Weight 274.2753
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-DIAMINO-5-(3-METHOXY-4,5-METHYLENEDIOXYBENZYL)PYRIMIDINE

SMILES

COC1=CC(CC2=CN=C(N)N=C2N)=CC3=C1OCO3

InChI

InChIKey=DGKKGLAEGKBLCW-UHFFFAOYSA-N
InChI=1S/C13H14N4O3/c1-18-9-3-7(4-10-11(9)20-6-19-10)2-8-5-16-13(15)17-12(8)14/h3-5H,2,6H2,1H3,(H4,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula C13H14N4O3
Molecular Weight 274.2753
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:06:32 GMT 2023
Edited
by admin
on Fri Dec 15 15:06:32 GMT 2023
Record UNII
E0R317HI4J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-DIAMINO-5-(3-METHOXY-4,5-METHYLENEDIOXYBENZYL)PYRIMIDINE
Systematic Name English
2,4-PYRIMIDINEDIAMINE, 5-((7-METHOXY-1,3-BENZODIOXOL-5-YL)METHYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60195628
Created by admin on Fri Dec 15 15:06:32 GMT 2023 , Edited by admin on Fri Dec 15 15:06:32 GMT 2023
PRIMARY
FDA UNII
E0R317HI4J
Created by admin on Fri Dec 15 15:06:32 GMT 2023 , Edited by admin on Fri Dec 15 15:06:32 GMT 2023
PRIMARY
PUBCHEM
623704
Created by admin on Fri Dec 15 15:06:32 GMT 2023 , Edited by admin on Fri Dec 15 15:06:32 GMT 2023
PRIMARY
CAS
43005-09-0
Created by admin on Fri Dec 15 15:06:32 GMT 2023 , Edited by admin on Fri Dec 15 15:06:32 GMT 2023
PRIMARY