Chemical Components in the PDB

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C9L : Summary

Code

C9L

One-letter code

X

Molecule name

5-ethyl-N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 5-ethyl-~{N}4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine

Formula

C12 H21 N5

Formal charge

0

Molecular weight

235.329 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCc1c(NC)nc(N)nc1N2CCCCC2
SMILES OpenEye OEToolkits 2.0.6 CCc1c(nc(nc1N2CCCCC2)N)NC
Canonical SMILES CACTVS 3.385 CCc1c(NC)nc(N)nc1N2CCCCC2
Canonical SMILES OpenEye OEToolkits 2.0.6 CCc1c(nc(nc1N2CCCCC2)N)NC

IUPAC InChI

InChI=1S/C12H21N5/c1-3-9-10(14-2)15-12(13)16-11(9)17-7-5-4-6-8-17/h3-8H2,1-2H3,(H3,13,14,15,16)

IUPAC InChI key

IHEKCGZMPNDSRL-UHFFFAOYSA-N
C9L

wwPDB Information

Atom count

38 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-04-18

Last modified at

2020-10-23

Status

Released

Obsoleted

Not Assigned