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1135-61-1 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-methylpropyl)-
CAS No: 1135-61-1 Catalog No: AG0008S6 MDL No:
Product Description
Catalog Number:
AG0008S6
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-methylpropyl)-
CAS Number:
1135-61-1
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
IUPAC Name:
5-ethyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C10H16N2O3/c1-4-10(5-6(2)3)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChI Key:
OSVIDGCVOGPEOK-UHFFFAOYSA-N
SMILES:
CCC1(CC(C)C)C(=O)NC(=O)NC1=O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.249g/mol
Monoisotopic Mass:
212.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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