1-(2,4-Diamino-5H-Pyrrolo[3,4-d]Pyrimidin-6(7H)-Yl)Ethanone
[CAS# 1854-52-0]

Identification

• Name: 1-(2,4-Diamino-5H-Pyrrolo[3,4-d]Pyrimidin-6(7H)-Yl)Ethanone
• Synonyms: Nsc107245; 6-Acetyl-2,4-Diamino-6,7-Dihydro-5H-Pyrrolo[3,4-D]Pyrimidine; 6-Acetyl-6,7-Dihydro-5H-Pyrrolo[3,4-D]Pyrimidine-2,4-Diamine
• Molecular Formula: C₈H₁₁N₅O
• Molecular Weight: 193.21
• CAS Registry Number: 1854-52-0
• SMILES: CC(N2CC1=C(C(=NC(=N1)N)N)C2)=O
• InChI: 1S/C8H11N5O/c1-4(14)13-2-5-6(3-13)11-8(10)12-7(5)9/h2-3H2,1H3,(H4,9,10,11,12)
• InChIKey: FWJBYNGCDWTVOA-UHFFFAOYSA-N

Properties

• Density: 1.465g/cm³ (Cal.)
• Boiling point: 575.627°C at 760 mmHg (Cal.)
• Flash point: 301.928°C (Cal.)