5-Methyldihydro-2,4(1H,3H)-Pyrimidinedione
[CAS 3590-50-9]

Identification

• Name: 5-Methyldihydro-2,4(1H,3H)-Pyrimidinedione
• Synonyms: 2,4 (1H, 3H)-Pyrimidinedione, dihydro-5-methyl-; 2,4(1H,3H)-Pyrimidinedione, dihydro-5-methyl- (9CI); 2-hydroxy-5-methyl-5,6-dihydropyrimidin-4(1H)-one
• Molecular Formula: C₅H₈N₂O₂
• Molecular Weight: 128.13
• CAS Registry Number: 3590-50-9
• SMILES: CC1CNC(=O)NC1=O
• InChI: 1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)
• InChIKey: NBAKTGXDIBVZOO-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 263-265°C (Expl.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract

References

• (1): Martin D. Shetlar, Janet Chung and Kellie Hom. Photoinduced ring opening reactions and subsequent thermal ring closure reactions in the thymine–ammonia system and related systems, Photochem. Photobiol. Sci., 2010, 9, 1228.