Chemical Components in the PDB

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TE5 : Summary

Code

TE5

One-letter code

X

Molecule name

4-methoxy-6-phenyl-pyrimidin-2-amine

Synonyms

4-methoxy-6-phenylpyrimidin-2-ylamine
4-methoxy-6-phenylpyrimidin-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-methoxy-6-phenyl-pyrimidin-2-amine

Formula

C11 H11 N3 O

Formal charge

0

Molecular weight

201.225 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1cc(nc(N)n1)c2ccccc2
SMILES OpenEye OEToolkits 2.0.7 COc1cc(nc(n1)N)c2ccccc2
Canonical SMILES CACTVS 3.385 COc1cc(nc(N)n1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1cc(nc(n1)N)c2ccccc2

IUPAC InChI

InChI=1S/C11H11N3O/c1-15-10-7-9(13-11(12)14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14)

IUPAC InChI key

NVXGRADJIFIBIO-UHFFFAOYSA-N
TE5

wwPDB Information

Atom count

26 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-12-21

Last modified at

2022-01-07

Status

Released

Obsoleted

Not Assigned