4-Amino-1-Methyl-2(1H)-Pyrimidinone
[CAS# 176112-77-9]

Identification

• Name: 4-Amino-1-Methyl-2(1H)-Pyrimidinone
• Molecular Formula: C₅H₇N₃O
• Molecular Weight: 125.13
• CAS Registry Number: 176112-77-9
• SMILES: CN1C=CC(=NC1=O)N
• InChI: 1S/C5H7N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3,(H2,6,7,9)
• InChIKey: HWPZZUQOWRWFDB-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 241.6±23.0°C at 760 mmHg (Cal.)
• Flash point: 99.9±22.6°C (Cal.)
• Refractive index: 1.619 (Cal.)

References

• (1): Elisabetta Greco, Abil E. Aliev, Valerie G. H. Lafitte, Kason Bala, David Duncan, Laura Pilon, Peter Golding and Helen C. Hailes. Cytosine modules in quadruple hydrogen bonded arrays, New J. Chem., 2010, 34, 2634.