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101087-11-0 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-[2-(1-piperidinyl)ethyl]-
CAS No: 101087-11-0 Catalog No: AG0003Q8 MDL No:
Product Description
Catalog Number:
AG0003Q8
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-[2-(1-piperidinyl)ethyl]-
CAS Number:
101087-11-0
Molecular Formula:
C15H25N3O3
Molecular Weight:
295.3773
IUPAC Name:
5-butyl-5-(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C15H25N3O3/c1-2-3-7-15(8-11-18-9-5-4-6-10-18)12(19)16-14(21)17-13(15)20/h2-11H2,1H3,(H2,16,17,19,20,21)
InChI Key:
CEIAUYCMTWAQHU-UHFFFAOYSA-N
SMILES:
CCCCC1(CCN2CCCCC2)C(=O)NC(=O)NC1=O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.19g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.383g/mol
Monoisotopic Mass:
295.19g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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