EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SN8015PESO
EPA CompTox	DTXSID40221575

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SN8015PESO

EPA CompTox

DTXSID40221575


InChI Key	PCVJQTVUJJJSRQ-UHFFFAOYSA-N
Smiles	Clc1nc(N2CCCCC2)c2nc(Cl)nc(N3CCCCC3)c2n1
InChI	InChI=1S/C16H20Cl2N6/c17-15-20-12-11(13(21-15)23-7-3-1-4-8-23)19-16(18)22-14(12)24-9-5-2-6-10-24/h1-10H2

InChI Key

PCVJQTVUJJJSRQ-UHFFFAOYSA-N

Smiles

Clc1nc(N2CCCCC2)c2nc(Cl)nc(N3CCCCC3)c2n1

InChI

InChI=1S/C16H20Cl2N6/c17-15-20-12-11(13(21-15)23-7-3-1-4-8-23)19-16(18)22-14(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	7139-02-8
NORMAN SUSDAT
FDA SRS	SN8015PESO
PubChem	81556
ChemSpider	73588.0

Resources

Reference

CAS NUMBER

7139-02-8

NORMAN SUSDAT

FDA SRS

SN8015PESO

PubChem

81556

ChemSpider

73588.0

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...

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

Last update: Monday, 3 November 2025

2,6-DICHLORO-4,8-DI(PIPERIDIN-1-YL)PYRIMIDO(5,4-D)PYRIMIDINE

Structure

Physicochemical Descriptors

Cross References