Chemical Components in the PDB

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5ZE : Summary

Code

5ZE

One-letter code

X

Molecule name

4,6-dimethylpyrimidin-2-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 4,6-dimethylpyrimidin-2-amine
OpenEye OEToolkits 1.7.6 4,6-dimethylpyrimidin-2-amine

Formula

C6 H9 N3

Formal charge

0

Molecular weight

123.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1c(cc(nc1N)C)C
SMILES CACTVS 3.385 Cc1cc(C)nc(N)n1
SMILES OpenEye OEToolkits 1.7.6 Cc1cc(nc(n1)N)C
Canonical SMILES CACTVS 3.385 Cc1cc(C)nc(N)n1
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cc(nc(n1)N)C

IUPAC InChI

InChI=1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)

IUPAC InChI key

IDQNBVFPZMCDDN-UHFFFAOYSA-N
5ZE

wwPDB Information

Atom count

18 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-07-30

Last modified at

2014-02-21

Status

Released

Obsoleted

Not Assigned