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| CAS No.: | 6490-42-2 |
|---|---|
| Name: | 1-ETHYLPYRIMIDINE-2,4(1H,3H)-DIONE |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C6H8N2O2 |
| Molecular Weight: | 140.142 |
| Synonyms: | 1-Ethyluracil |
| Density: | 1.193 g/cm3 |
| PSA: | 55.12000 |
| LogP: | -0.03120 |
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- Total:13 Page 1 of 1 1
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Specification
The 1-Ethylpyrimidine-2,4-dione, with the CAS registry number 6490-42-2, is also known as ZINC00399538. This chemical's molecular formula is C6H8N2O2 and molecular weight is 140.13992. Its IUPAC name is called 1-ethylpyrimidine-2,4-dione.
Physical properties of 1-Ethylpyrimidine-2,4-dione: (1)ACD/LogP: -0.67; (2)ACD/LogD (pH 5.5): -0.67; (3)ACD/LogD (pH 7.4): -0.67; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.34; (7)ACD/KOC (pH 7.4): 10.21; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.5; (12)Molar Refractivity: 34.55 cm3; (13)Molar Volume: 117.4 cm3; (14)Surface Tension: 38.8 dyne/cm; (15)Density: 1.193 g/cm3.
Preparation: this chemical can be prepared by 3-benzoyl-1-ethyl-1H-pyrimidine-2,4-dione. This reaction will need reagent MeONa and solvent methanol. The reaction time is 24 hours with reaction temperature of 20 °C. The yield is about 92%.
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Uses of 1-Ethylpyrimidine-2,4-dione: it can be used to produce 6-ethyl-6H-tetrazolo[1,5-c]pyrimidin-5-one by heating. This reaction will need reagent NaN3, POCl3 and solvent acetonitrile with reaction time of 10 hours. The yield is about 94%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN1C=CC(=O)NC1=O
(2)InChI: InChI=1S/C6H8N2O2/c1-2-8-4-3-5(9)7-6(8)10/h3-4H,2H2,1H3,(H,7,9,10)
(3)InChIKey: KPLDRYODCDLNHB-UHFFFAOYSA-N