EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8ZWY29H946
EPA CompTox	DTXSID0061115

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8ZWY29H946

EPA CompTox

DTXSID0061115


InChI Key	VVSASNKOFCZVES-UHFFFAOYSA-N
Smiles	CN1C(=O)CC(=O)N(C)C1=O
InChI	InChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3

InChI Key

VVSASNKOFCZVES-UHFFFAOYSA-N

Smiles

CN1C(=O)CC(=O)N(C)C1=O

InChI

InChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3

Property Name	Value
Molecular Formula	C6H8N2O3
Molecular Weight	156.05
AlogP	-0.57
Hydrogen Bond Acceptor	3.0
Polar Surface Area	57.69
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C6H8N2O3

Molecular Weight

156.05

AlogP

-0.57

Hydrogen Bond Acceptor

3.0

Polar Surface Area

57.69

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	769-42-6
NORMAN SUSDAT
FDA SRS	8ZWY29H946
PubChem	69860
ChemSpider	63056.0

Resources

Reference

CAS NUMBER

769-42-6

NORMAN SUSDAT

FDA SRS

8ZWY29H946

PubChem

69860

ChemSpider

63056.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 1,3-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References