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102613-25-2 | 2,4(1H,3H)-Pyrimidinedione, 3-cyclohexyl-5-(ethylmethylamino)-1,6-dimethyl-
CAS No: 102613-25-2 Catalog No: AG0007X0 MDL No:
Product Description
Catalog Number:
AG0007X0
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-cyclohexyl-5-(ethylmethylamino)-1,6-dimethyl-
CAS Number:
102613-25-2
Molecular Formula:
C15H25N3O2
Molecular Weight:
279.3779
IUPAC Name:
3-cyclohexyl-1,6-dimethyl-5-(propylamino)pyrimidine-2,4-dione
InChI:
InChI=1S/C15H25N3O2/c1-4-10-16-13-11(2)17(3)15(20)18(14(13)19)12-8-6-5-7-9-12/h12,16H,4-10H2,1-3H3
InChI Key:
KLBPQKIWUNBPRW-UHFFFAOYSA-N
SMILES:
CCN(c1c(C)n(C)c(=O)n(c1=O)C1CCCCC1)C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.195g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.384g/mol
Monoisotopic Mass:
279.195g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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