Chemical Components in the PDB

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6UM : Summary

Code

6UM

One-letter code

X

Molecule name

1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea

Formula

C17 H15 N5 O

Formal charge

0

Molecular weight

305.334 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ncc(NC(=O)Nc2ccccn2)c(n1)c3ccccc3
SMILES OpenEye OEToolkits 2.0.5 Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3ccccn3
Canonical SMILES CACTVS 3.385 Cc1ncc(NC(=O)Nc2ccccn2)c(n1)c3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.5 Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3ccccn3

IUPAC InChI

InChI=1S/C17H15N5O/c1-12-19-11-14(16(20-12)13-7-3-2-4-8-13)21-17(23)22-15-9-5-6-10-18-15/h2-11H,1H3,(H2,18,21,22,23)

IUPAC InChI key

NWPAIRZLGKDVNX-UHFFFAOYSA-N
6UM

wwPDB Information

Atom count

38 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-06-27

Last modified at

2016-12-22

Status

Released

Obsoleted

Not Assigned