2-Pyrimidinamine,4-(trifluoromethyl)- (16075-42-6)

The IUPAC name of 2-Pyrimidinamine,4-(trifluoromethyl)- is 4-(trifluoromethyl)pyrimidin-2-amine. With the CAS registry number 16075-42-6, it is also named as 2-Amino-4-(trifluoromethyl)pyrimidine. The product's categories are amines; pyrazines, pyrimidines & pyridazines; imidazoles & benzimidazoles; pyrimidine series. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.35; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1.09; (6)ACD/BCF (pH 7.4): 1.09; (7)ACD/KOC (pH 5.5): 37.01; (8)ACD/KOC (pH 7.4): 37.01; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 0; (11)Index of Refraction: 1.478; (12)Molar Refractivity: 31.65 cm³; (13)Molar Volume: 111.6 cm³; (14)Polarizability: 12.54×10^-24 cm³; (15)Surface Tension: 38.7 dyne/cm; (16)Enthalpy of Vaporization: 49.84 kJ/mol; (17)Vapour Pressure: 0.012 mmHg at 25°C; (18)Tautomer Count: 3; (19)Exact Mass: 163.035732; (20)MonoIsotopic Mass: 163.035732; (21)Topological Polar Surface Area: 51.8; (22)Heavy Atom Count: 11; (23)Complexity: 135.

Preparation of 2-Pyrimidinamine,4-(trifluoromethyl)-: It can be obtained by 4-ethoxy-1,1,1-trifluoro-but-3-en-2-one and guanidine; carbonate (2:1). This reaction needs solvent benzene at temperature of 120 °C. The reaction time is 6 hours. The yield is 60%.

When you are using this chemical, please be cautious about it as the following:
It is 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:FC(F)(F)c1nc(ncc1)N
2. InChI:InChI=1/C5H4F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2H,(H2,9,10,11) 
3. InChIKey:NKOTXYPTXKUCDL-UHFFFAOYAD