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CAS No.: | 2033-47-8 |
---|---|
Name: | 2-AMINO-4,6-DIMETHYL-5-IODOPYRIMIDINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H8IN3 |
Molecular Weight: | 249.054 |
Synonyms: | Pyrimidine,2-amino-5-iodo-4,6-dimethyl- (7CI,8CI); |
Density: | 1.875g/cm3 |
Melting Point: | 176-178℃ |
Boiling Point: | 372°Cat760mmHg |
Flash Point: | 178.8°C |
PSA: | 51.80000 |
LogP: | 1.86140 |
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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: 29.02Å2; (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