EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	PBG0JXV865
EPA CompTox	DTXSID8063886

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

PBG0JXV865

EPA CompTox

DTXSID8063886


InChI Key	BGQNOPFTJROKJE-UHFFFAOYSA-N
Smiles	Cn1c(=O)n(C)c(=O)c(N)c1N
InChI	InChI=1S/C6H10N4O2/c1-9-4(8)3(7)5(11)10(2)6(9)12/h7-8H2,1-2H3

InChI Key

BGQNOPFTJROKJE-UHFFFAOYSA-N

Smiles

Cn1c(=O)n(C)c(=O)c(N)c1N

InChI

InChI=1S/C6H10N4O2/c1-9-4(8)3(7)5(11)10(2)6(9)12/h7-8H2,1-2H3

Property Name	Value
Molecular Formula	C6H10N4O2
Molecular Weight	170.08
AlogP	-1.75
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Polar Surface Area	96.04
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C6H10N4O2

Molecular Weight

170.08

AlogP

-1.75

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Polar Surface Area

96.04

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	5440-00-6
NORMAN SUSDAT
FDA SRS	PBG0JXV865
PubChem	79501
ChemSpider	71811.0

Resources

Reference

CAS NUMBER

5440-00-6

NORMAN SUSDAT

FDA SRS

PBG0JXV865

PubChem

79501

ChemSpider

71811.0

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(1H,3H)-PYRIMIDINEDIONE, 5,6-DIAMINO-1,3-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References