EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	3LBZ95F292
EPA CompTox	DTXSID00182032

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

3LBZ95F292

EPA CompTox

DTXSID00182032


InChI Key	RCFRTWDBBMGLGK-UHFFFAOYSA-N
Smiles	CCC1(C)C(=O)NC(=O)NC1=O
InChI	InChI=1S/C7H10N2O3/c1-3-7(2)4(10)8-6(12)9-5(7)11/h3H2,1-2H3,(H2,8,9,10,11,12)

InChI Key

RCFRTWDBBMGLGK-UHFFFAOYSA-N

Smiles

CCC1(C)C(=O)NC(=O)NC1=O

InChI

InChI=1S/C7H10N2O3/c1-3-7(2)4(10)8-6(12)9-5(7)11/h3H2,1-2H3,(H2,8,9,10,11,12)

Property Name	Value
Molecular Formula	C7H10N2O3
Molecular Weight	170.07
AlogP	1.45
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	82.25
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C7H10N2O3

Molecular Weight

170.07

AlogP

1.45

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

82.25

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	27653-63-0
NORMAN SUSDAT
FDA SRS	3LBZ95F292
PubChem	95705
ChemSpider	85170.0

Resources

Reference

CAS NUMBER

27653-63-0

NORMAN SUSDAT

FDA SRS

3LBZ95F292

PubChem

95705

ChemSpider

85170.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

5-ETHYL-5-METHYL-1H,3H,5H-PYRIMIDIN-2,4,6-TRIONE

Structure

Physicochemical Descriptors

Cross References