EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	72VGL2GLZ7
EPA CompTox	DTXSID60219818

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

72VGL2GLZ7

EPA CompTox

DTXSID60219818


InChI Key	YIEYUMZIUOPBII-UHFFFAOYSA-N
Smiles	CNC(=O)Nc1ccc(cc1)N(C)C
InChI	InChI=1S/C10H15N3O/c1-11-10(14)12-8-4-6-9(7-5-8)13(2)3/h4-7H,1-3H3,(H2,11,12,14)

InChI Key

YIEYUMZIUOPBII-UHFFFAOYSA-N

Smiles

CNC(=O)Nc1ccc(cc1)N(C)C

InChI

InChI=1S/C10H15N3O/c1-11-10(14)12-8-4-6-9(7-5-8)13(2)3/h4-7H,1-3H3,(H2,11,12,14)

Property Name	Value
Molecular Formula	C10H15N3O1
Molecular Weight	193.12
AlogP	1.71
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	47.86
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H15N3O1

Molecular Weight

193.12

AlogP

1.71

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

47.86

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	6956-24-7
NORMAN SUSDAT
FDA SRS	72VGL2GLZ7
PubChem	81404
ChemSpider	73452.0

Resources

Reference

CAS NUMBER

6956-24-7

NORMAN SUSDAT

FDA SRS

72VGL2GLZ7

PubChem

81404

ChemSpider

73452.0

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-(4-(DIMETHYLAMINO)PHENYL)-3-METHYLUREA

Structure

Physicochemical Descriptors

Cross References