Chemical Components in the PDB

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6Q3 : Summary

Code

6Q3

One-letter code

X

Molecule name

3-(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)OXYPROPAN-1-OL

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 3-(2-azanyl-6-methyl-pyrimidin-4-yl)oxypropan-1-ol

Formula

C8 H13 N3 O2

Formal charge

0

Molecular weight

183.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cc(OCCCO)nc(N)n1
SMILES OpenEye OEToolkits 1.7.6 Cc1cc(nc(n1)N)OCCCO
Canonical SMILES CACTVS 3.385 Cc1cc(OCCCO)nc(N)n1
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cc(nc(n1)N)OCCCO

IUPAC InChI

InChI=1S/C8H13N3O2/c1-6-5-7(11-8(9)10-6)13-4-2-3-12/h5,12H,2-4H2,1H3,(H2,9,10,11)

IUPAC InChI key

IGISMMDITOHCMM-UHFFFAOYSA-N
6Q3

wwPDB Information

Atom count

26 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-01-06

Last modified at

2016-07-15

Status

Released

Obsoleted

Not Assigned