Chemical Components in the PDB

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LD8 : Summary

Code

LD8

One-letter code

X

Molecule name

2,4-dimethoxypyrimidine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2,4-dimethoxypyrimidine

Formula

C6 H8 N2 O2

Formal charge

0

Molecular weight

140.14 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccnc(OC)n1
SMILES OpenEye OEToolkits 2.0.7 COc1ccnc(n1)OC
Canonical SMILES CACTVS 3.385 COc1ccnc(OC)n1
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccnc(n1)OC

IUPAC InChI

InChI=1S/C6H8N2O2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3

IUPAC InChI key

KEVRHVMWBKFGLO-UHFFFAOYSA-N
LD8

wwPDB Information

Atom count

18 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-05

Last modified at

2020-01-31

Status

Released

Obsoleted

Not Assigned