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101426-85-1 | 2,4(1H,3H)-Pyrimidinedione, 3-cyclohexyl-5-(diethylamino)-1,6-dimethyl-
CAS No: 101426-85-1 Catalog No: AG0004HL MDL No:
Product Description
Catalog Number:
AG0004HL
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-cyclohexyl-5-(diethylamino)-1,6-dimethyl-
CAS Number:
101426-85-1
Molecular Formula:
C16H27N3O2
Molecular Weight:
293.4045
IUPAC Name:
3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione
InChI:
InChI=1S/C16H27N3O2/c1-5-18(6-2)14-12(3)17(4)16(21)19(15(14)20)13-10-8-7-9-11-13/h13H,5-11H2,1-4H3
InChI Key:
BWCCWHHYJFNKHN-UHFFFAOYSA-N
SMILES:
CCN(c1c(=O)n(C2CCCCC2)c(=O)n(c1C)C)CC
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.21g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.411g/mol
Monoisotopic Mass:
293.21g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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