4-Amino-5-Hydroxy-2(1H)-Pyrimidinone
[CAS# 13484-95-2]

Identification

• Name: 4-Amino-5-Hydroxy-2(1H)-Pyrimidinone
• Synonyms: 2(1H)-Pyrimidinone, 4-Amino-5-Hydroxy-; 4-Amino-5-Hydroxy-2(1H)-Pyrimidinone; Cytosine, 5-Hydroxy-
• Molecular Formula: C₄H₅N₃O₂
• Molecular Weight: 127.10
• CAS Registry Number: 13484-95-2
• SMILES: O=C1NC(=C(O)C=N1)N
• InChI: 1S/C4H5N3O2/c5-3-2(8)1-6-4(9)7-3/h1,8H,(H3,5,6,7,9)
• InChIKey: NLLCDONDZDHLCI-UHFFFAOYSA-N

Properties

• Density: 1.844g/cm³ (Cal.)
• Boiling point: 509.9°C at 760 mmHg (Cal.)
• Flash point: 262.2°C (Cal.)

References

• (1): David E. Volk, Varatharasa Thiviyanathan, Anoma Somasunderam and David G. Gorenstein. Ab initio base-pairing energies of an oxidized thymine product, 5-formyluracil, with standard DNA bases at the BSSE-free DFT and MP2 theory levels, Org. Biomol. Chem., 2007, 5, 1554.