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101590-16-3 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(4-methyl-1-piperidinyl)-
CAS No: 101590-16-3 Catalog No: AG0004XA MDL No:
Product Description
Catalog Number:
AG0004XA
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(4-methyl-1-piperidinyl)-
CAS Number:
101590-16-3
Molecular Formula:
C12H19N3O3
Molecular Weight:
253.2976
IUPAC Name:
5-ethyl-5-(4-methylpiperidin-1-yl)-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C12H19N3O3/c1-3-12(15-6-4-8(2)5-7-15)9(16)13-11(18)14-10(12)17/h8H,3-7H2,1-2H3,(H2,13,14,16,17,18)
InChI Key:
CMMVSWXCSGSQDS-UHFFFAOYSA-N
SMILES:
CCC1(N2CCC(CC2)C)C(=O)NC(=O)NC1=O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.143g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.302g/mol
Monoisotopic Mass:
253.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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