Chemical Components in the PDB

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CK2 : Summary

Code

CK2

One-letter code

X

Molecule name

4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE

Synonyms

4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
OpenEye OEToolkits 1.5.0 4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine

Formula

C9 H10 N4 S

Formal charge

0

Molecular weight

206.267 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2c(c1sc(nc1C)C)ccnc2N
SMILES CACTVS 3.341 Cc1sc(c(C)n1)c2ccnc(N)n2
SMILES OpenEye OEToolkits 1.5.0 Cc1c(sc(n1)C)c2ccnc(n2)N
Canonical SMILES CACTVS 3.341 Cc1sc(c(C)n1)c2ccnc(N)n2
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c(sc(n1)C)c2ccnc(n2)N

IUPAC InChI

InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)

IUPAC InChI key

CTFDMGIBHFQWKB-UHFFFAOYSA-N
CK2

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-07-07

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned