EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4UM8PK8RCC
EPA CompTox	DTXSID80284149

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4UM8PK8RCC

EPA CompTox

DTXSID80284149


InChI Key	FIMUTBLUWQGTIJ-UHFFFAOYSA-N
Smiles	Cc1nc(Cl)cc(Cl)n1
InChI	InChI=1S/C5H4Cl2N2/c1-3-8-4(6)2-5(7)9-3/h2H,1H3

InChI Key

FIMUTBLUWQGTIJ-UHFFFAOYSA-N

Smiles

Cc1nc(Cl)cc(Cl)n1

InChI

InChI=1S/C5H4Cl2N2/c1-3-8-4(6)2-5(7)9-3/h2H,1H3

Property Name	Value
Molecular Formula	C5H4Cl2N2
Molecular Weight	161.98
AlogP	2.09
Hydrogen Bond Acceptor	2.0
Polar Surface Area	25.78
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C5H4Cl2N2

Molecular Weight

161.98

AlogP

2.09

Hydrogen Bond Acceptor

2.0

Polar Surface Area

25.78

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	1780-26-3
NORMAN SUSDAT
FDA SRS	4UM8PK8RCC

Resources

Reference

CAS NUMBER

1780-26-3

NORMAN SUSDAT

FDA SRS

4UM8PK8RCC

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-METHYL-4,6-DICHLOROPYRIMIDINE

Structure

Physicochemical Descriptors

Cross References