EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	S8JQ539BWX
EPA CompTox	DTXSID70232932

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

S8JQ539BWX

EPA CompTox

DTXSID70232932


InChI Key	OEBXWWBYZJNKRK-UHFFFAOYSA-N
Smiles	CN1CCCN2CCCN=C12
InChI	InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3

InChI Key

OEBXWWBYZJNKRK-UHFFFAOYSA-N

Smiles

CN1CCCN2CCCN=C12

InChI

InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3

Property Name	Value
Molecular Formula	C8H15N3
Molecular Weight	153.13
AlogP	0.38
Hydrogen Bond Acceptor	3.0
Polar Surface Area	18.84
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H15N3

Molecular Weight

153.13

AlogP

0.38

Hydrogen Bond Acceptor

3.0

Polar Surface Area

18.84

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	84030-20-6
NORMAN SUSDAT
FDA SRS	S8JQ539BWX
PubChem	123583
ChemSpider	110177.0

Resources

Reference

CAS NUMBER

84030-20-6

NORMAN SUSDAT

FDA SRS

S8JQ539BWX

PubChem

123583

ChemSpider

110177.0

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

1,3,4,6,7,8-HEXAHYDRO-1-METHYL-2H-PYRIMIDO(1,2-A)PYRIMIDINE

Structure

Physicochemical Descriptors

Cross References