Chemical Components in the PDB

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CJ6 : Summary

Code

CJ6

One-letter code

X

Molecule name

N4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

Formula

C12 H20 N6

Formal charge

0

Molecular weight

248.327 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1CCN(CC1)c2cc(NC3CC3)nc(N)n2
SMILES OpenEye OEToolkits 2.0.6 CN1CCN(CC1)c2cc(nc(n2)N)NC3CC3
Canonical SMILES CACTVS 3.385 CN1CCN(CC1)c2cc(NC3CC3)nc(N)n2
Canonical SMILES OpenEye OEToolkits 2.0.6 CN1CCN(CC1)c2cc(nc(n2)N)NC3CC3

IUPAC InChI

InChI=1S/C12H20N6/c1-17-4-6-18(7-5-17)11-8-10(14-9-2-3-9)15-12(13)16-11/h8-9H,2-7H2,1H3,(H3,13,14,15,16)

IUPAC InChI key

FIEMJUXXGVKTNG-UHFFFAOYSA-N
CJ6

wwPDB Information

Atom count

38 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-04-24

Last modified at

2020-10-23

Status

Released

Obsoleted

Not Assigned