1,3-dimethyl-5H-pteridine-2,4,6-trione

Base Information

• Chemical Name: 1,3-dimethyl-5H-pteridine-2,4,6-trione
• CAS No.: 61846-18-2
• Molecular Formula: C₈H₈N₄O₃
• Molecular Weight: 208.177
• European Community (EC) Number: 661-471-1
• DSSTox Substance ID: DTXSID70400376
• Nikkaji Number: J2.551.138G
• Wikidata: Q82203323
• Mol file: 61846-18-2.mol

Synonyms:1,3-dimethyl-5H-pteridine-2,4,6-trione;61846-18-2;SCHEMBL5440119;DTXSID70400376;AKOS024340790;1,3-Dimethylpteridine-2,4,6(1H,3H,5H)-trione

Chemical Property of 1,3-dimethyl-5H-pteridine-2,4,6-trione

Chemical Property:

• PSA: 89.75000
• LogP: -1.67950
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 208.05964013
• Heavy Atom Count: 15
• Complexity: 437

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=O)C=N2