EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	VEU0FRO9FL
EPA CompTox	DTXSID9062930

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

VEU0FRO9FL

EPA CompTox

DTXSID9062930


InChI Key	BBTNLADSUVOPPN-UHFFFAOYSA-N
Smiles	OS(=O)(=O)O.Nc1c(N)c(=O)[nH]c(=O)[nH]1.Nc1c(N)c(=O)[nH]c(=O)[nH]1
InChI	InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)

InChI Key

BBTNLADSUVOPPN-UHFFFAOYSA-N

Smiles

OS(=O)(=O)O.Nc1c(N)c(=O)[nH]c(=O)[nH]1.Nc1c(N)c(=O)[nH]c(=O)[nH]1

InChI

InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)

Property Name	Value
Molecular Formula	C4H6N4O2
Molecular Weight	142.05
AlogP	-0.95
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Polar Surface Area	118.28
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C4H6N4O2

Molecular Weight

142.05

AlogP

-0.95

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Polar Surface Area

118.28

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	3240-72-0
NORMAN SUSDAT
FDA SRS	VEU0FRO9FL
PubChem	76726
ChemSpider	69183.0

Resources

Reference

CAS NUMBER

3240-72-0

NORMAN SUSDAT

FDA SRS

VEU0FRO9FL

PubChem

76726

ChemSpider

69183.0

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-DIAMINO-

Structure

Physicochemical Descriptors

Cross References