EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Y2WWD85QY6
EPA CompTox	DTXSID3051759

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Y2WWD85QY6

EPA CompTox

DTXSID3051759


InChI Key	RGDQRXPEZUNWHX-UHFFFAOYSA-N
Smiles	Cc1c(N)nccc1
InChI	InChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)

InChI Key

RGDQRXPEZUNWHX-UHFFFAOYSA-N

Smiles

Cc1c(N)nccc1

InChI

InChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)

Property Name	Value
Molecular Formula	C6H8N2
Molecular Weight	108.07
AlogP	0.97
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	38.91
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C6H8N2

Molecular Weight

108.07

AlogP

0.97

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

38.91

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	1603-40-3
NORMAN SUSDAT
FDA SRS	Y2WWD85QY6
PubChem	15347
ChemSpider	2980.0

Resources

Reference

CAS NUMBER

1603-40-3

NORMAN SUSDAT

FDA SRS

Y2WWD85QY6

PubChem

15347

ChemSpider

2980.0

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-3-METHYLPYRIDINE

Structure

Physicochemical Descriptors

Cross References