EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z8E6XF5ZY5
EPA CompTox	DTXSID8041240

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z8E6XF5ZY5

EPA CompTox

DTXSID8041240


InChI Key	CYFUTQFVJKHZRW-UHFFFAOYSA-N
Smiles	CN1C(=O)N(C)C(C)(C)C1=O
InChI	InChI=1S/C7H12N2O2/c1-7(2)5(10)8(3)6(11)9(7)4/h1-4H3

InChI Key

CYFUTQFVJKHZRW-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)C(C)(C)C1=O

InChI

InChI=1S/C7H12N2O2/c1-7(2)5(10)8(3)6(11)9(7)4/h1-4H3

Property Name	Value
Molecular Formula	C7H12N2O2
Molecular Weight	156.09
AlogP	0.29
Hydrogen Bond Acceptor	2.0
Polar Surface Area	40.62
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C7H12N2O2

Molecular Weight

156.09

AlogP

0.29

Hydrogen Bond Acceptor

2.0

Polar Surface Area

40.62

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	15414-89-8
NORMAN SUSDAT
FDA SRS	Z8E6XF5ZY5

Resources

Reference

CAS NUMBER

15414-89-8

NORMAN SUSDAT

FDA SRS

Z8E6XF5ZY5

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-DIMETHYL-5,5-DIMETHYLHYDANTOIN

Structure

Physicochemical Descriptors

Cross References