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1015-65-2 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-
CAS No: 1015-65-2 Catalog No: AG0004MU MDL No:
Product Description
Catalog Number:
AG0004MU
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-
CAS Number:
1015-65-2
Molecular Formula:
C10H14N2O3
Molecular Weight:
210.2298
IUPAC Name:
1-cyclohexyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C10H14N2O3/c13-8-6-9(14)12(10(15)11-8)7-4-2-1-3-5-7/h7H,1-6H2,(H,11,13,15)
InChI Key:
ZTUIKEVPLFQEJR-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)N(C(=O)N1)C1CCCCC1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.233g/mol
Monoisotopic Mass:
210.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Pyrimidine-2,4,6-trione derivatives and their inhibition of mutant SOD1-dependent protein aggregation. Toward a treatment for amyotrophic lateral sclerosis. | Journal of medicinal chemistry 20110414 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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