Chemical Components in the PDB

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26D : Summary

Code

26D

One-letter code

X

Molecule name

PYRIDINE-2,6-DIAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 pyridine-2,6-diamine
OpenEye OEToolkits 1.5.0 pyridine-2,6-diamine

Formula

C5 H7 N3

Formal charge

0

Molecular weight

109.129 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c(N)cccc1N
SMILES CACTVS 3.341 Nc1cccc(N)n1
SMILES OpenEye OEToolkits 1.5.0 c1cc(nc(c1)N)N
Canonical SMILES CACTVS 3.341 Nc1cccc(N)n1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(nc(c1)N)N

IUPAC InChI

InChI=1S/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-3H,(H4,6,7,8)

IUPAC InChI key

VHNQIURBCCNWDN-UHFFFAOYSA-N
26D

wwPDB Information

Atom count

15 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-08-23

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned