5-Nitroso-2,4,6-triaminopyrimidine

The IUPAC name of 5-Nitroso-2,4,6-triaminopyrimidine is 5-nitrosopyrimidine-2,4,6-triamine. With the CAS registry number 1006-23-1, it is also named as 2,4,6-Triamino-5-nitrosopyrimidine. The product's categories are Pyridines, Pyrimidines, Purines and Pteredines; Amines; Nucleotides and Nucleosides; Pyrimidines; Nucleic acids; Bases & Related Reagents; Nucleotides. Besides, it is orange solid, which should be stored in in sealed, ventilated, cool and dry place away from heat source and incompatible substances. In addition, this chemical is stable and incompatible with strong oxidizing agents.

The other characteristics of this product can be summarized as: (1)EINECS: 213-742-7; (2)ACD/LogP: -1.38; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): -1.39; (5)ACD/LogD (pH 7.4): -1.38; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 4.18; (9)ACD/KOC (pH 7.4): 4.22; (10)#H bond acceptors: 7; (11)#H bond donors: 6; (12)#Freely Rotating Bonds: 1; (13)Polar Surface Area: 64.93 Å²; (14)Index of Refraction: 1.963; (15)Molar Refractivity: 34.18 cm³; (16)Molar Volume: 70 cm³; (17)Polarizability: 13.55×10^-24cm³; (18)Surface Tension: 138.4 dyne/cm; (19)Density: 2.19 g/cm³; (20)Flash Point: 318.4 °C; (21)Melting point 300 °C; (22)Enthalpy of Vaporization: 89.69 kJ/mol; (23)Boiling Point: 602.9 °C at 760 mmHg; (24)Vapour Pressure: 1.72E-14 mmHg at 25 °C.

Preparation of 5-Nitroso-2,4,6-triaminopyrimidine: this chemical can be prepared by nitrosation of 2,4,6-Triaminopyrimidine. Furthermore, it can be prepared by hydroxyimino-malononitrile; compound with guanidine.



This reaction needs Potassium carbonate and Dimethylformamide by heating for 0.5 hour. The yield is 72 %.

Uses of 5-Nitroso-2,4,6-triaminopyrimidine: this chemical is used as intermediate of triamterene, aminopterin. It is also used as pharmaceutical intermediates. Additionally, it can react with Pyridin-4-yl-acetonitrile to get 2,4,7-Triamino-6-(4-pyridyl)pteridine dihydrochloride.



This reaction needs NaOEt, 1 M HCl and Ethanol by heating for 24 hours. The yield is 65 %.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. And it is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing. And please avoid contact with skin and eyes. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=Nc1c(nc(nc1N)N)N
(2)InChI: InChI=1/C4H6N6O/c5-2-1(10-11)3(6)9-4(7)8-2/h(H6,5,6,7,8,9)
(3)InChIKey: XLQQJSWJHHKLOK-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C4H6N6O/c5-2-1(10-11)3(6)9-4(7)8-2/h(H6,5,6,7,8,9)
(5)Std. InChIKey: XLQQJSWJHHKLOK-UHFFFAOYSA-N