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88543-48-0 | 1,3(2H,4H)-Pyrimidinedipropanenitrile, 5,5-diethyldihydro-2,4,6-trioxo-
CAS No: 88543-48-0 Catalog No: AG004CQS MDL No:
Product Description
Catalog Number:
AG004CQS
Chemical Name:
1,3(2H,4H)-Pyrimidinedipropanenitrile, 5,5-diethyldihydro-2,4,6-trioxo-
CAS Number:
88543-48-0
Molecular Formula:
C14H18N4O3
Molecular Weight:
290.3177
IUPAC Name:
3-[3-(2-cyanoethyl)-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]propanenitrile
InChI:
InChI=1S/C14H18N4O3/c1-3-14(4-2)11(19)17(9-5-7-15)13(21)18(12(14)20)10-6-8-16/h3-6,9-10H2,1-2H3
InChI Key:
RDPJZEVHCKHGLM-UHFFFAOYSA-N
SMILES:
N#CCCN1C(=O)N(CCC#N)C(=O)C(C1=O)(CC)CC
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.138g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.323g/mol
Monoisotopic Mass:
290.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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