Chemical Components in the PDB

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0OX : Summary

Code

0OX

One-letter code

X

Molecule name

4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide
OpenEye OEToolkits 1.7.6 4-azanyl-2-cyclopentyloxy-pyrimidine-5-carboxamide

Formula

C10 H14 N4 O2

Formal charge

0

Molecular weight

222.244 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c2cnc(OC1CCCC1)nc2N)N
SMILES CACTVS 3.370 NC(=O)c1cnc(OC2CCCC2)nc1N
SMILES OpenEye OEToolkits 1.7.6 c1c(c(nc(n1)OC2CCCC2)N)C(=O)N
Canonical SMILES CACTVS 3.370 NC(=O)c1cnc(OC2CCCC2)nc1N
Canonical SMILES OpenEye OEToolkits 1.7.6 c1c(c(nc(n1)OC2CCCC2)N)C(=O)N

IUPAC InChI

InChI=1S/C10H14N4O2/c11-8-7(9(12)15)5-13-10(14-8)16-6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,15)(H2,11,13,14)

IUPAC InChI key

YTVJKSRJMDSHEP-UHFFFAOYSA-N
0OX

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-04-04

Last modified at

2013-03-29

Status

Released

Obsoleted

Not Assigned