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2,4-Dihydroxy-5,6-dimethylpyrimidine

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Name

2,4-Dihydroxy-5,6-dimethylpyrimidine

EINECS 247-601-6
CAS No. 26305-13-5 Density 1.16 g/cm3
PSA 65.72000 LogP -0.32000
Solubility almost transparency in hot Water Melting Point 297-300 °C (dec.)(lit.)
Formula C6H8N2O2 Boiling Point 408.8 °C at 760 mmHg
Molecular Weight 140.142 Flash Point 24/25
Transport Information N/A Appearance white to almost white crystalline powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 26305-13-5 (5,6-DIMETHYLURACIL) Hazard Symbols N/A
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;

Article Data 20

2,4-Dihydroxy-5,6-dimethylpyrimidine Specification

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
mouse LD50 intraperitoneal 140mg/kg (140mg/kg) BEHAVIORAL: ANTIPSYCHOTIC Chemical and Pharmaceutical Bulletin. Vol. 6, Pg. 490, 1958.

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