Chemical Components in the PDB

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8NF : Summary

Code

8NF

One-letter code

X

Molecule name

5-amino-2,4-dimethylpyridine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4,6-dimethylpyridin-3-amine

Formula

C7 H10 N2

Formal charge

0

Molecular weight

122.168 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cc(C)c(N)cn1
SMILES OpenEye OEToolkits 2.0.7 Cc1cc(ncc1N)C
Canonical SMILES CACTVS 3.385 Cc1cc(C)c(N)cn1
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cc(ncc1N)C

IUPAC InChI

InChI=1S/C7H10N2/c1-5-3-6(2)9-4-7(5)8/h3-4H,8H2,1-2H3

IUPAC InChI key

SHSQTJRJQHPJRQ-UHFFFAOYSA-N
8NF

wwPDB Information

Atom count

19 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-12-21

Last modified at

2021-12-31

Status

Released

Obsoleted

Not Assigned