1,6-Dihydro-3-Methyl-7H-Pyrazolo[4,3-d]Pyrimidin-7-One
[CAS# 5399-94-0]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Hydroxypyrimidine
• Name: 1,6-Dihydro-3-Methyl-7H-Pyrazolo[4,3-d]Pyrimidin-7-One
• Synonyms: Nsc4941; 3-Methyl-1,6-Dihydro-7H-Pyrazolo[4,3-D]Pyrimidin-7-One; 3-Methylpyrazolo[4,3-D]Pyrimidine-7[6H]-One
• Molecular Formula: C₆H₆N₄O
• Molecular Weight: 150.14
• CAS Registry Number: 5399-94-0
• SMILES: CC2=C1NC=NC(=O)C1=N[NH]2
• InChI: 1S/C6H6N4O/c1-3-4-5(10-9-3)6(11)8-2-7-4/h2H,1H3,(H,9,10)(H,7,8,11)
• InChIKey: CLQCSOBKSCRQQT-UHFFFAOYSA-N

Properties

• Density: 1.721g/cm³ (Cal.)
• Boiling point: 423.36°C at 760 mmHg (Cal.)
• Flash point: 209.841°C (Cal.)