Chemical Components in the PDB

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MUK : Summary

Code

MUK

One-letter code

X

Molecule name

4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine

Formula

C12 H13 N3

Formal charge

0

Molecular weight

199.252 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cc(C)nc(Nc2ccccc2)n1
SMILES OpenEye OEToolkits 2.0.7 Cc1cc(nc(n1)Nc2ccccc2)C
Canonical SMILES CACTVS 3.385 Cc1cc(C)nc(Nc2ccccc2)n1
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cc(nc(n1)Nc2ccccc2)C

IUPAC InChI

InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)

IUPAC InChI key

ZLIBICFPKPWGIZ-UHFFFAOYSA-N
MUK

wwPDB Information

Atom count

28 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-24

Last modified at

2020-08-14

Status

Released

Obsoleted

Not Assigned