2-Aminopyrimidine

The 2-Aminopyrimidine, with the CAS registry number 109-12-6 and EINECS registry number 203-648-4, has the systematic name of pyrimidin-2-amine. And the molecular formula of this chemical is C₄H₅N₃. It is a kind of white to light yellow powder, and belongs to the following product categories: Pyrimidine; Fine chemical & intermediates; APIs & Intermediate; Amines; Nucleic acids.

The physical properties of 2-Aminopyrimidine are as following: (1)ACD/LogP: -0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.68; (8)ACD/KOC (pH 7.4): 18.08; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.02 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 26.67 cm³; (15)Molar Volume: 78.1 cm³; (16)Polarizability: 10.57×10^-24cm³; (17)Surface Tension: 64.3 dyne/cm; (18)Density: 1.216 g/cm³; (19)Flash Point: 144.5 °C; (20)Enthalpy of Vaporization: 51.35 kJ/mol; (21)Boiling Point: 275.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00521 mmHg at 25°C.

Preparation and uses of 2-Aminopyrimidine: It can be prepared by from Mucochloric acid and guanidine nitrate via cyclization, decarboxylation and dechlorination. What's more, it is often used in the biochemical study and organic systhesis. 

Chemical reaction: It is used in the synthesis of other chemicals. For example, it can react with hexane-2,5-dione to produce 2-(2,5-dimethyl-pyrrol-1-yl)-pyrimidine. The reaction time is 24 hours with temperature of 100°C, and the yield is about 36%.

 
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(nc1)N
(2)InChI: InChI=1/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)
(3)InChIKey: LJXQPZWIHJMPQQ-UHFFFAOYAJ

The toxicity data is as follows: