Chemical Components in the PDB

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LG3 : Summary

Code

LG3

One-letter code

X

Molecule name

PYRIMIDINE-2,4-DIAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 pyrimidine-2,4-diamine
OpenEye OEToolkits 1.5.0 pyrimidine-2,4-diamine

Formula

C4 H6 N4

Formal charge

0

Molecular weight

110.117 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c(N)ccnc1N
SMILES CACTVS 3.341 Nc1ccnc(N)n1
SMILES OpenEye OEToolkits 1.5.0 c1cnc(nc1N)N
Canonical SMILES CACTVS 3.341 Nc1ccnc(N)n1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cnc(nc1N)N

IUPAC InChI

InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)

IUPAC InChI key

YAAWASYJIRZXSZ-UHFFFAOYSA-N
LG3

wwPDB Information

Atom count

14 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-11-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned