EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	KAF7GN82TM
EPA CompTox	DTXSID10206793

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

KAF7GN82TM

EPA CompTox

DTXSID10206793


InChI Key	FVKFHMNJTHKMRX-UHFFFAOYSA-N
Smiles	C1CNC2=NCCCN2C1
InChI	InChI=1S/C7H13N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1-6H2,(H,8,9)

InChI Key

FVKFHMNJTHKMRX-UHFFFAOYSA-N

Smiles

C1CNC2=NCCCN2C1

InChI

InChI=1S/C7H13N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1-6H2,(H,8,9)

Property Name	Value
Molecular Formula	C7H13N3
Molecular Weight	139.11
AlogP	0.04
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	27.63
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H13N3

Molecular Weight

139.11

AlogP

0.04

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Polar Surface Area

27.63

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	5807-14-7
NORMAN SUSDAT
FDA SRS	KAF7GN82TM
PubChem	79873
ChemSpider	72164.0

Resources

Reference

CAS NUMBER

5807-14-7

NORMAN SUSDAT

FDA SRS

KAF7GN82TM

PubChem

79873

ChemSpider

72164.0

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

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

Structure

Physicochemical Descriptors

Cross References