EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70436610

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70436610


InChI Key	XAFQKMFFPFLHAC-UHFFFAOYSA-N
Smiles	CCOc1nc(O)cc(=O)[nH]1
InChI	InChI=1S/C6H8N2O3/c1-2-11-6-7-4(9)3-5(10)8-6/h3H,2H2,1H3,(H2,7,8,9,10)

InChI Key

XAFQKMFFPFLHAC-UHFFFAOYSA-N

Smiles

CCOc1nc(O)cc(=O)[nH]1

InChI

InChI=1S/C6H8N2O3/c1-2-11-6-7-4(9)3-5(10)8-6/h3H,2H2,1H3,(H2,7,8,9,10)

Property Name	Value
Molecular Formula	C6H8N2O3
Molecular Weight	156.05
AlogP	0.29
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	75.47
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C6H8N2O3

Molecular Weight

156.05

AlogP

0.29

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

75.47

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	61636-08-6
NORMAN SUSDAT
PubChem	10197799
ChemSpider	8373299.0

Resources

Reference

CAS NUMBER

61636-08-6

NORMAN SUSDAT

PubChem

10197799

ChemSpider

8373299.0

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-ETHOXY-4,6-DIHYDROXYPYRIMIDINE

Structure

Physicochemical Descriptors

Cross References