2,4-Dihydroxypyrimidine-5-carboxylic acid

The 2,4-Dihydroxypyrimidine-5-carboxylic acid, with the CAS registry number 23945-44-0 and EINECS registry number 245-947-2, has the systematic name of 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid. And the molecular formula of this chemical is C₅H₄N₂O₄. It is a kind of white to slightly yellow crystalline powder, and belongs to the following product categories: Carboxylic Acids; Pyrazines, Pyrimidines & Pyridazines; Pyridine; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; Carboxylic Acids; Pyrazines, Pyrimidines & Pyridazines. What's more, it is usually used as medicine intermediate.

The physical properties of 2,4-Dihydroxypyrimidine-5-carboxylic acid are as following: (1)ACD/LogP: -0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.38; (4)ACD/LogD (pH 7.4): -4.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.92 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 31.11 cm³; (15)Molar Volume: 95 cm³; (16)Polarizability: 12.33×10^-24cm³; (17)Surface Tension: 68.5 dyne/cm; (18)Density: 1.642 g/cm³; (19)Flash Point: 295.4 °C; (20)Enthalpy of Vaporization: 89.28 kJ/mol; (21)Boiling Point: 564.9 °C at 760 mmHg; (22)Vapour Pressure: 1.35E-13 mmHg at 25°C.

Uses of 2,4-Dihydroxypyrimidine-5-carboxylic acid: It can be used to produce 5,5-dibromo-6-hydroxy-dihydro-pyrimidine-2,4-dione. This reaction will need reagent Br₂, and the solvent H₂O. And the yield is about 79%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(=O)[nH]c(=O)[nH]1)C(=O)O
(2)InChI: InChI=1/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
(3)InChIKey: ZXYAAVBXHKCJJB-UHFFFAOYAK