6-Amino-5-Methyl-2,4(1H,3H)-Pyrimidinedione
[CAS# 15828-63-4]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Urinary (urea) pyrimidine
• Name: 6-Amino-5-Methyl-2,4(1H,3H)-Pyrimidinedione
• Synonyms: 6-Amino-5-Methyl-Uracil; 2,4(1H,3H)-Pyrimidinedione, 6-Amino-5-Methyl-; 6-Aminothymine
• Molecular Formula: C₅H₇N₃O₂
• Molecular Weight: 141.13
• CAS Registry Number: 15828-63-4
• SMILES: CC1=C(N)NC(=O)NC1=O
• InChI: 1S/C5H7N3O2/c1-2-3(6)7-5(10)8-4(2)9/h1H3,(H4,6,7,8,9,10)
• InChIKey: CUTGVWHMTHWOJP-UHFFFAOYSA-N

Properties

• Density: 1.302g/cm³ (Cal.)

References

• (1): Gábor Paragi, Emília Szájli, Ferenc Bogár, Lajos Kovács, Célia Fonseca Guerra and F. Matthias Bickelhaupt. Hydrogen bonding of 3- and 5-methyl-6-aminouracil with natural DNA bases, New J. Chem., 2008, 32, 1981.