Chemical Components in the PDB

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DJX : Summary

Code

DJX

One-letter code

X

Molecule name

N-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine

Synonyms

6-(4-ethylpiperazin-1-yl)-2-methyl-N-(5-(pyridin-4-yl)thiazol-2-yl)pyrimidin-4-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine

Formula

C19 H23 N7 S

Formal charge

0

Molecular weight

381.498 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCN1CCN(CC1)c2cc(Nc3sc(cn3)c4ccncc4)nc(C)n2
SMILES OpenEye OEToolkits 2.0.7 CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccncc4
Canonical SMILES CACTVS 3.385 CCN1CCN(CC1)c2cc(Nc3sc(cn3)c4ccncc4)nc(C)n2
Canonical SMILES OpenEye OEToolkits 2.0.7 CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccncc4

IUPAC InChI

InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)

IUPAC InChI key

MBWHJBDHRADERX-UHFFFAOYSA-N
DJX

wwPDB Information

Atom count

50 (27 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-02

Last modified at

2019-11-22

Status

Released

Obsoleted

Not Assigned