5-Aminouracil

The IUPAC Name of 5-Aminouracil is 5-amino-1H-pyrimidine-2,4-dione. With the CAS registry number 932-52-5 and EINECS 213-252-3, it is also named as 2,4(1H,3H)-Pyrimidinedione, 5-amino-. The product's categories are Pyrimidine; Miscellaneous; Nucleic Acids. It is beige to brown fine powder which is easily soluble in dilute acid, soluble in hot alkali and slightly soluble in boiling water. What's more, this chemical is toxic and flammable. When heated to decomposition it emits toxic vapors of NO_x. So the storage environment should be well-ventilated, low-temperature and dry.

The other characteristics of this product can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.117; (5)ACD/KOC (pH 7.4): 2.606; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 84.22 Å²; (10)Index of Refraction: 1.545; (11)Molar Refractivity: 28.557 cm³; (12)Molar Volume: 90.373 cm³; (13)Polarizability: 11.321×10^-24 cm³; (14)Surface Tension: 50.585 dyne/cm; (15)Tautomer Count: 16; (16)Exact Mass: 127.038176; (17)MonoIsotopic Mass: 127.038176; (18)Topological Polar Surface Area: 84.2; (19)Heavy Atom Count: 9; (20)Complexity: 196.

Uses of 5-Aminouracil: It can react with carbon(isothiocyanatidic) acid methyl ester to get 5-[1-(3-methoxycarbonyl)thioureido]uracil. This reaction needs solvent acetonitrile by heating. The reaction time is 2 hours. The yield is 94%.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. So people should not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES:c1c(c(=O)[nH]c(=O)[nH]1)N
2. InChI:InChI=1/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)
3. InChIKey:BISHACNKZIBDFM-UHFFFAOYAW

The following is the toxicity data which has been tested.