EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2SHU0QC17F
EPA CompTox	DTXSID60180918

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2SHU0QC17F

EPA CompTox

DTXSID60180918


InChI Key	PZVLJGKJIMBYNP-UHFFFAOYSA-N
Smiles	Cc1c(C)c(=O)[nH]c(=O)[nH]1
InChI	InChI=1S/C6H8N2O2/c1-3-4(2)7-6(10)8-5(3)9/h1-2H3,(H2,7,8,9,10)

InChI Key

PZVLJGKJIMBYNP-UHFFFAOYSA-N

Smiles

Cc1c(C)c(=O)[nH]c(=O)[nH]1

InChI

InChI=1S/C6H8N2O2/c1-3-4(2)7-6(10)8-5(3)9/h1-2H3,(H2,7,8,9,10)

Property Name	Value
Molecular Formula	C6H8N2O2
Molecular Weight	140.06
AlogP	0.5
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Polar Surface Area	66.24
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H8N2O2

Molecular Weight

140.06

AlogP

0.5

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Polar Surface Area

66.24

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	26305-13-5
NORMAN SUSDAT
FDA SRS	2SHU0QC17F
PubChem	96031
ChemSpider	86695.0

Resources

Reference

CAS NUMBER

26305-13-5

NORMAN SUSDAT

FDA SRS

2SHU0QC17F

PubChem

96031

ChemSpider

86695.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2,4(1H,3H)-PYRIMIDINEDIONE, 5,6-DIMETHYL- (9CI)

Structure

Physicochemical Descriptors

Cross References