2-Amino-5-nitropyrimidine

The IUPAC name of 2-Amino-5-nitropyrimidine is 5-nitropyrimidin-2-amine. With the CAS registry number 3073-77-6, it is also named as 2-pyrimidinamine, 5-nitro-. The product's categories are Pyrimidine; Pyridines, Pyrimidines, Purines and Pteredines; Building Blocks; Heterocyclic Building Blocks. It is light yellow fine crystalline powder which should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.49; (4)ACD/LogD (pH 7.4): -0.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.9; (8)ACD/KOC (pH 7.4): 12.9; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.659; (13)Molar Refractivity: 33.21 cm³; (14)Molar Volume: 90 cm³; (15)Polarizability: 13.16×10^-24 cm³; (16)Surface Tension: 89.5 dyne/cm; (17)Enthalpy of Vaporization: 65.35 kJ/mol; (18)Vapour Pressure: 1.1E-06 mmHg at 25°C; (19)Tautomer Count: 2; (20)Exact Mass: 140.033425; (21)MonoIsotopic Mass: 140.033425; (22)Topological Polar Surface Area: 97.6; (23)Heavy Atom Count: 10; (24)Complexity: 126.

Preparation of 2-Amino-5-nitropyrimidine: It can be obtained by 5-nitro-pyrimidine. This reaction needs reagents NH₃, KMnO₄ at temperature of -33 °C. The reaction time is 15 min. The yield is 45%.

Uses of 2-Amino-5-nitropyrimidine: It is used as raw material of fine chemical engineering and as pharmaceutical intermediate. It also can react with isopropylidene-methyl-amine to get 5-methyl-pyrimidin-2-ylamine and N-methyl-4-nitro-aniline. This reaction needs solvent dimethylformamide at temperature of 20 °C. The reaction time is 120 hours. The yield is 48%.

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. 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, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=[N+]([O-])c1cnc(nc1)N
2. InChI:InChI=1/C4H4N4O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H,(H2,5,6,7) 
3. InChIKey:SSHFCFRJYJIJDV-UHFFFAOYAQ