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2417-22-3

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Basic Information
CAS No.: 2417-22-3
Name: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl- (9CI)
Article Data: 7
Molecular Structure:
Molecular Structure of 2417-22-3 (2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl- (9CI))
Formula: C5H6N2O3
Molecular Weight: 142.114
Synonyms: Barbituricacid, 5-methyl- (6CI,7CI,8CI);5-Methyl-2,4,6-trihydroxypyrimidine;5-Methylbarbituric acid;6-Hydroxy-5-methyluracil;6-Hydroxythymine;NSC 30724;
Density: 1.315 g/cm3
Melting Point: 320-323 °C
PSA: 75.27000
LogP: -0.35390
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Specification

The 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-methyl-, also known as Barbituric acid, 5-methyl-, is an organic compound with the formula C5H6N2O3. It belongs to the product category of Pyrimidine. With the CAS registry number 2417-22-3, its IUPAC name is 5-methyl-1,3-diazinane-2,4,6-trione.

Physical properties of 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-methyl-: (1)ACD/LogP: -0.96; (2)ACD/LogD (pH 5.5): -1.08; (3)ACD/LogD (pH 7.4): -2.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.47; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)Index of Refraction: 1.471; (11)Molar Refractivity: 30.24 cm3; (12)Molar Volume: 108 cm3; (13)Surface Tension: 39.4 dyne/cm; (14)Density: 1.315 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1C(=O)NC(=O)NC1=O
(2)InChI: InChI=1S/C5H6N2O3/c1-2-3(8)6-5(10)7-4(2)9/h2H,1H3,(H2,6,7,8,9,10)
(3)InChIKey: GOMAEJQBTWAPAN-UHFFFAOYSA-N