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Details

Stereochemistry ACHIRAL
Molecular Formula C26H34ClN6O2P
Molecular Weight 529.014
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-CHLORO-N2-(4-(4-(DIMETHYLAMINO)-1-PIPERIDINYL)-2-METHOXYPHENYL)-N4-(2-(DIMETHYLPHOSPHINYL)PHENYL)-2,4-PYRIMIDINEDIAMINE

SMILES

COC1=CC(=CC=C1NC2=NC=C(Cl)C(NC3=CC=CC=C3P(C)(C)=O)=N2)N4CCC(CC4)N(C)C

InChI

InChIKey=OVDSPTSBIQCAIN-UHFFFAOYSA-N
InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)

HIDE SMILES / InChI

Molecular Formula C26H34ClN6O2P
Molecular Weight 529.014
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 Mon Mar 31 22:03:30 GMT 2025
Edited
by admin
on Mon Mar 31 22:03:30 GMT 2025
Record UNII
3DGD69C6PV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-PYRIMIDINEDIAMINE, 5-CHLORO-N2-(4-(4-(DIMETHYLAMINO)-1-PIPERIDINYL)-2-METHOXYPHENYL)-N4-(2-(DIMETHYLPHOSPHINYL)PHENYL)-
Preferred Name English
5-CHLORO-N2-(4-(4-(DIMETHYLAMINO)-1-PIPERIDINYL)-2-METHOXYPHENYL)-N4-(2-(DIMETHYLPHOSPHINYL)PHENYL)-2,4-PYRIMIDINEDIAMINE
Systematic Name English
Code System Code Type Description
PUBCHEM
57390074
Created by admin on Mon Mar 31 22:03:30 GMT 2025 , Edited by admin on Mon Mar 31 22:03:30 GMT 2025
PRIMARY
FDA UNII
3DGD69C6PV
Created by admin on Mon Mar 31 22:03:30 GMT 2025 , Edited by admin on Mon Mar 31 22:03:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID30725416
Created by admin on Mon Mar 31 22:03:30 GMT 2025 , Edited by admin on Mon Mar 31 22:03:30 GMT 2025
PRIMARY
CAS
1197958-12-5
Created by admin on Mon Mar 31 22:03:30 GMT 2025 , Edited by admin on Mon Mar 31 22:03:30 GMT 2025
PRIMARY