Chemical Components in the PDB

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W5M : Summary

Code

W5M

One-letter code

X

Molecule name

9-methyl-9H-purine-2,6-diamine

Systematic names

ProgramVersionName
ACDLabs 12.01 9-methyl-9H-purine-2,6-diamine
OpenEye OEToolkits 2.0.7 9-methylpurine-2,6-diamine

Formula

C6 H8 N6

Formal charge

0

Molecular weight

164.168 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Cn2cnc1c(nc(N)nc12)N
SMILES CACTVS 3.385 Cn1cnc2c(N)nc(N)nc12
SMILES OpenEye OEToolkits 2.0.7 Cn1cnc2c1nc(nc2N)N
Canonical SMILES CACTVS 3.385 Cn1cnc2c(N)nc(N)nc12
Canonical SMILES OpenEye OEToolkits 2.0.7 Cn1cnc2c1nc(nc2N)N

IUPAC InChI

InChI=1S/C6H8N6/c1-12-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3,(H4,7,8,10,11)

IUPAC InChI key

NMJOZGVQPPGGFV-UHFFFAOYSA-N
W5M

wwPDB Information

Atom count

20 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-29

Last modified at

2020-12-11

Status

Released

Obsoleted

Not Assigned