Chemical Components in the PDB

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P1R : Summary

Code

P1R

One-letter code

X

Molecule name

PYRIMIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 pyrimidine
OpenEye OEToolkits 1.5.0 pyrimidine

Formula

C4 H4 N2

Formal charge

0

Molecular weight

80.088 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1cccnc1
SMILES CACTVS 3.341 c1cncnc1
SMILES OpenEye OEToolkits 1.5.0 c1cncnc1
Canonical SMILES CACTVS 3.341 c1cncnc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cncnc1

IUPAC InChI

InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H

IUPAC InChI key

CZPWVGJYEJSRLH-UHFFFAOYSA-N
P1R

wwPDB Information

Atom count

10 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-05-02

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned