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149981-39-5

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Basic Information
CAS No.: 149981-39-5
Name: 6-Amino-5-(4-sulfonamidobenzoyl)-N-(methylamino)-1-methyluracil
Molecular Structure:
Molecular Structure of 149981-39-5 (6-Amino-5-(4-sulfonamidobenzoyl)-N-(methylamino)-1-methyluracil)
Formula: C13H15N5O5S
Molecular Weight: 353.35
Synonyms: N-(6-Amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methyl-4-sulfamoylbenzamide;
Density: 1.62 g/cm3
Melting Point: >300°C
Solubility: Soluble in DMSO and DMF
Appearance: White solid
PSA: 164.53000
LogP: 0.74330
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Specification

The Benzamide,4-(aminosulfonyl)-N-(6-amino-1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-5-pyrimidinyl)-N-methyl- with CAS registry number of 149981-39-5 is also known as 6-Amino-5-(4-sulfonamidobenzoyl)-N-(methylamino)-1-methyluracil. The systematic name is N-(6-Amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methyl-4-sulfamoylbenzamide. In addition, the formula is C13H15N5O5S and the molecular weight is 353.35. What's more, this chemical is a white solid and it is soluble in DMSO and DMF.

Physical properties about Benzamide,4-(aminosulfonyl)-N-(6-amino-1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-5-pyrimidinyl)-N-methyl- are: (1)ACD/LogP: -2.97; (2)# of Rule of 5 Violations: 2 ; (3)#H bond acceptors: 10; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 109.93Å2; (7)Index of Refraction: 1.704; (8)Molar Refractivity: 84.39 cm3; (9)Molar Volume: 217.1 cm3; (10)Polarizability: 33.45×10-24cm3; (11)Surface Tension: 89.7 dyne/cm; (12)Density: 1.62 g/cm3.

You can still convert the following datas into molecular structure:
1. SMILES: O=C1/C(=C(/N)N(C(=O)N1)C)N(C(=O)c2ccc(cc2)S(=O)(=O)N)C
2. InChI: InChI=1/C13H15N5O5S/c1-17(9-10(14)18(2)13(21)16-11(9)19)12(20)7-3-5-8(6-4-7)24(15,22)23/h3-6H,14H2,1-2H3,(H2,15,22,23)(H,16,19,21)
3. InChIKey: WZYBOBQSBKKFQV-UHFFFAOYAZ
4. Std. InChI: InChI=1S/C13H15N5O5S/c1-17(9-10(14)18(2)13(21)16-11(9)19)12(20)7-3-5-8(6-4-7)24(15,22)23/h3-6H,14H2,1-2H3,(H2,15,22,23)(H,16,19,21)
5. Std. InChIKey: WZYBOBQSBKKFQV-UHFFFAOYSA-N