Chemical Components in the PDB

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UVV : Summary

Code

UVV

One-letter code

X

Molecule name

3-amino-1,6-dimethylpyridin-2(1H)-one

Systematic names

ProgramVersionName
ACDLabs 12.01 3-amino-1,6-dimethylpyridin-2(1H)-one
OpenEye OEToolkits 2.0.7 3-azanyl-1,6-dimethyl-pyridin-2-one

Formula

C7 H10 N2 O

Formal charge

0

Molecular weight

138.167 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N1(C(C)=CC=C(C1=O)N)C
SMILES CACTVS 3.385 CN1C(=CC=C(N)C1=O)C
SMILES OpenEye OEToolkits 2.0.7 CC1=CC=C(C(=O)N1C)N
Canonical SMILES CACTVS 3.385 CN1C(=CC=C(N)C1=O)C
Canonical SMILES OpenEye OEToolkits 2.0.7 CC1=CC=C(C(=O)N1C)N

IUPAC InChI

InChI=1S/C7H10N2O/c1-5-3-4-6(8)7(10)9(5)2/h3-4H,8H2,1-2H3

IUPAC InChI key

VFLVYBUNQQTDOV-UHFFFAOYSA-N
UVV

wwPDB Information

Atom count

20 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-06-02

Last modified at

2020-06-12

Status

Released

Obsoleted

Not Assigned