Pyrimido[5,4-d]Pyrimidin-4(1H)-One
[CAS# 28285-65-6]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Alcohol
• Name: Pyrimido[5,4-d]Pyrimidin-4(1H)-One
• Synonyms: MFCD11109820; Pyrimido[5,4-d]pyrimidin-4-ol (8CI)
• Molecular Formula: C₆H₄N₄O
• Molecular Weight: 148.12
• CAS Registry Number: 28285-65-6
• SMILES: O=C1/N=C\Nc2cncnc12
• InChI: 1S/C6H4N4O/c11-6-5-4(8-3-10-6)1-7-2-9-5/h1-3H,(H,8,10,11)
• InChIKey: BITPEJGYBAKIKR-UHFFFAOYSA-N

Properties

• Density: 1.681g/cm³ (Cal.)
• Boiling point: 371.878°C at 760 mmHg (Cal.)
• Flash point: 178.706°C (Cal.)
• Refractive index: 1.814 (Cal.)