6-Amino-1,3-Dimethyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidine-5-Carbaldehyde
[CAS# 54660-80-9]

Identification

• Name: 6-Amino-1,3-Dimethyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidine-5-Carbaldehyde
• Synonyms: 4-Amino-1,3-Dimethyl-2,6-Dioxo-Pyrimidine-5-Carbaldehyde; 4-Amino-1,3-Dimethyl-2,6-Dioxo-5-Pyrimidinecarboxaldehyde; 4-Amino-2,6-Diketo-1,3-Dimethyl-Pyrimidine-5-Carbaldehyde
• Molecular Formula: C₇H₉N₃O₃
• Molecular Weight: 183.17
• CAS Registry Number: 54660-80-9
• SMILES: CN1C(=C(C(N(C)C1=O)=O)C=O)N
• InChI: 1S/C7H9N3O3/c1-9-5(8)4(3-11)6(12)10(2)7(9)13/h3H,8H2,1-2H3
• InChIKey: LGXGZORRPBTMAO-UHFFFAOYSA-N

Properties

• Density: 1.465g/cm³ (Cal.)
• Boiling point: 370.858°C at 760 mmHg (Cal.)
• Flash point: 178.089°C (Cal.)

References

• (1): J. M. de la Torre, M. Nogueras, J. Cobo, J. N. Low and C. Glidewell. Redetermination of 6-amino-5-formyl-1,3-dimethyluracil monohydrate at 120Â K: a polarized molecular structure and two interwoven hydrogen-bonded frameworks, Acta Cryst. (2007). C63, o638-o640