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CAS No.: | 26305-13-5 |
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Name: | 5,6-DIMETHYLURACIL |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C6H8N2O2 |
Molecular Weight: | 140.142 |
Synonyms: | Uracil,5,6-dimethyl- (7CI,8CI);2,4-Dihydroxy-5,6-dimethylpyrimidine;5,6-Dimethyl-2,4(1H,3H)-pyrimidinedione;5,6-Dimethyluracil;6-Methylthymine;NSC 163903;NSC 49017; |
EINECS: | 247-601-6 |
Density: | 1.16 g/cm3 |
Melting Point: | 297-300 °C (dec.)(lit.) |
Boiling Point: | 408.8 °C at 760 mmHg |
Flash Point: | 24/25 |
Solubility: | almost transparency in hot Water |
Appearance: | white to almost white crystalline powder |
Safety: | 24/25 |
PSA: | 65.72000 |
LogP: | -0.32000 |
This chemical is called 2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl-, and its systematic name is 5,6-dimethylpyrimidine-2,4(1H,3H)-dione. With the molecular formula of C6H8N2O2, its molecular weight is 140.14. The CAS registry number of this chemical is 26305-13-5. Additionally, its classification code is Drug / Therapeutic Agent. It should be sealed in the cool and dry plcace, away from oxides. If you use this chemical, please avoid contacting with skin and eyes.
Other characteristics of the 2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl- can be summarised as followings: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 1.35; (6)ACD/BCF (pH 7.4): 1.34; (7)ACD/KOC (pH 5.5): 43.08; (8)ACD/KOC (pH 7.4): 42.83; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 34.41 cm3; (15)Molar Volume: 120.7 cm3; (16)Polarizability: 13.64×10-24cm3; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 201 °C; (20)Enthalpy of Vaporization: 68.66 kJ/mol; (21)Boiling Point: 408.8 °C at 760 mmHg; (22)Vapour Pressure: 2.88E-07 mmHg at 25°C.
Production method of this chemical: The 2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl- could be obtained by the reactant of 2,4-bis-methanesulfonyl-5,6-dimethyl-pyrimidine. This reaction needs the reagent of 10 percent aq. NaOH. The yield is 86 %. In addition, this reaction should be taken for 1 hour. The other condition is heating.
Uses of this chemical: The 2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl- could react with iodomethane, and obtain the 1,3,5,6-tetramethyl-1H-pyrimidine-2,4-dione. This reaction needs the reagent of K2CO3, and the solvent of acetone. The yield is 65 %. In addition, this reaction should be taken for 50 hours at the ambient temperature.
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD50 | intraperitoneal | 140mg/kg (140mg/kg) | BEHAVIORAL: ANTIPSYCHOTIC | Chemical and Pharmaceutical Bulletin. Vol. 6, Pg. 490, 1958. |