2-Pyrimidinamine,5-iodo-4,6-dimethyl-

The CAS register number of 2-Pyrimidinamine,5-iodo-4,6-dimethyl- is 2033-47-8. It also can be called as 4,6-Dimethyl-5-iodo-2-pyrimidinamine and the systematic name about this chemical is 5-iodo-4,6-dimethylpyrimidin-2-amine. The molecular formula about this chemical is C₆H₈IN₃ and the molecular weight is 249.05. It belongs to the Pyrimidine.

Physical properties about 2-Pyrimidinamine,5-iodo-4,6-dimethyl- are: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): 1.73; (3)ACD/LogD (pH 7.4): 1.73; (4)ACD/BCF (pH 5.5): 12.1; (5)ACD/BCF (pH 7.4): 12.19; (6)ACD/KOC (pH 5.5): 206.89; (7)ACD/KOC (pH 7.4): 208.49; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 29.02Ų; (11)Index of Refraction: 1.663; (12)Molar Refractivity: 49.22 cm³; (13)Molar Volume: 132.7 cm³; (14)Polarizability: 19.51x10^-24cm³; (15)Surface Tension: 61.7 dyne/cm; (16)Flash Point: 178.8 °C; (17)Enthalpy of Vaporization: 61.91 kJ/mol; (18)Boiling Point: 372 °C at 760 mmHg; (19)Vapour Pressure: 9.93E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 4,6-dimethyl-pyrimidin-2-ylamine. This reaction will need reagent I₂, Cl₂ and solvent dioxane. The yield is about 56%.

Uses of 2-Pyrimidinamine,5-iodo-4,6-dimethyl-: it can be used to produce 1-(4,6-dimethyl-pyrimidin-2-yl)-3-(5-iodo-4,6-dimethyl-pyrimidin-2-yl)-thiourea at heating. This reaction will need solvent acetonitrile with reaction time of 20 hours. The yield is about 78%.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(nc(nc1C)N)C
(2)InChI: InChI=1/C6H8IN3/c1-3-5(7)4(2)10-6(8)9-3/h1-2H3,(H2,8,9,10)
(3)InChIKey: TVGLWQPITVHTRF-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H8IN3/c1-3-5(7)4(2)10-6(8)9-3/h1-2H3,(H2,8,9,10)
(5)Std. InChIKey: TVGLWQPITVHTRF-UHFFFAOYSA-N