Chemical Components in the PDB

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GX7 : Summary

Code

GX7

One-letter code

X

Molecule name

5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione

Systematic names

ProgramVersionName
ACDLabs 12.01 5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 2.0.6 5-(cyclohexylamino)-1~{H}-pyrimidine-2,4-dione

Formula

C10 H15 N3 O2

Formal charge

0

Molecular weight

209.245 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N1C=C(C(NC1=O)=O)NC2CCCCC2
SMILES CACTVS 3.385 O=C1NC=C(NC2CCCCC2)C(=O)N1
SMILES OpenEye OEToolkits 2.0.6 C1CCC(CC1)NC2=CNC(=O)NC2=O
Canonical SMILES CACTVS 3.385 O=C1NC=C(NC2CCCCC2)C(=O)N1
Canonical SMILES OpenEye OEToolkits 2.0.6 C1CCC(CC1)NC2=CNC(=O)NC2=O

IUPAC InChI

InChI=1S/C10H15N3O2/c14-9-8(6-11-10(15)13-9)12-7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H2,11,13,14,15)

IUPAC InChI key

WHMIGQGVTIZZPV-UHFFFAOYSA-N
GX7

wwPDB Information

Atom count

30 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-06-01

Last modified at

2018-07-13

Status

Released

Obsoleted

Not Assigned