EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	NU7FFV4DWQ
EPA CompTox	DTXSID80190418

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

NU7FFV4DWQ

EPA CompTox

DTXSID80190418


InChI Key	WQLZHZNMYLIOEC-UHFFFAOYSA-N
Smiles	Clc1nc(nc2c1nc(nc2Cl)N1CCCCC1)N1CCCCC1
InChI	InChI=1S/C16H20Cl2N6/c17-13-12-11(19-15(21-13)23-7-3-1-4-8-23)14(18)22-16(20-12)24-9-5-2-6-10-24/h1-10H2

InChI Key

WQLZHZNMYLIOEC-UHFFFAOYSA-N

Smiles

Clc1nc(nc2c1nc(nc2Cl)N1CCCCC1)N1CCCCC1

InChI

InChI=1S/C16H20Cl2N6/c17-13-12-11(19-15(21-13)23-7-3-1-4-8-23)14(18)22-16(20-12)24-9-5-2-6-10-24/h1-10H2

Property Name	Value
Molecular Formula	C16H20Cl2N6
Molecular Weight	366.11
AlogP	3.71
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	2.0
Polar Surface Area	58.04
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C16H20Cl2N6

Molecular Weight

366.11

AlogP

3.71

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

2.0

Polar Surface Area

58.04

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	36926-31-5
NORMAN SUSDAT
FDA SRS	NU7FFV4DWQ
PubChem	25085731
ChemSpider	21230046.0

Resources

Reference

CAS NUMBER

36926-31-5

NORMAN SUSDAT

FDA SRS

NU7FFV4DWQ

PubChem

25085731

ChemSpider

21230046.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

4,8-DICHLORO-2,6-DIPIPERIDINOPYRIMIDO(5,4-D)PYRIMIDINE

Structure

Physicochemical Descriptors

Cross References