EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	885F759P8I
EPA CompTox	DTXSID2049420

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

885F759P8I

EPA CompTox

DTXSID2049420


InChI Key	JPZOAVGMSDSWSW-UHFFFAOYSA-N
Smiles	Nc1nc(Cl)cc(Cl)n1
InChI	InChI=1S/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)

InChI Key

JPZOAVGMSDSWSW-UHFFFAOYSA-N

Smiles

Nc1nc(Cl)cc(Cl)n1

InChI

InChI=1S/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)

Property Name	Value
Molecular Formula	C4H3Cl2N3
Molecular Weight	162.97
AlogP	1.2
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	52.53
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C4H3Cl2N3

Molecular Weight

162.97

AlogP

1.2

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

52.53

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	56-05-3
NORMAN SUSDAT
FDA SRS	885F759P8I
PubChem	65522
ChemSpider	58968.0

Resources

Reference

CAS NUMBER

56-05-3

NORMAN SUSDAT

FDA SRS

885F759P8I

PubChem

65522

ChemSpider

58968.0

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-AMINO-4,6-DICHLOROPYRIMIDINE

Structure

Physicochemical Descriptors

Cross References