EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form


InChI Key	RKXYMLOOMRYDON-UHFFFAOYSA-N
Smiles	C12=C(N=C3C(=N1)C(=O)NC(=N3)N)N=C(NC2=O)N
InChI	InChI=1S/C8H6N8O2/c9-7-13-3-1(5(17)15-7)11-2-4(12-3)14-8(10)16-6(2)18/h(H6,9,10,12,13,14,15,16,17,18)

InChI Key

RKXYMLOOMRYDON-UHFFFAOYSA-N

Smiles

C12=C(N=C3C(=N1)C(=O)NC(=N3)N)N=C(NC2=O)N

InChI

InChI=1S/C8H6N8O2/c9-7-13-3-1(5(17)15-7)11-2-4(12-3)14-8(10)16-6(2)18/h(H6,9,10,12,13,14,15,16,17,18)

Property Name	Value
Molecular Formula	C8H6N8O2
Molecular Weight	246.06
AlogP	-1.4
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	6.0
Polar Surface Area	171.3
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C8H6N8O2

Molecular Weight

246.06

AlogP

-1.4

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

6.0

Polar Surface Area

171.3

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	207283-72-5
NORMAN SUSDAT
PubChem	135414251

Resources

Reference

CAS NUMBER

207283-72-5

NORMAN SUSDAT

PubChem

135414251


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

2,8-DIAMINO-PYRIMIDO(5,4-G)PTERIDINE-4,6(1H, 7H)-DIONE

Structure

Physicochemical Descriptors

Cross References