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865366-48-9 | 4(1H)-Pyrimidinone, 2-(octylamino)-6-[(trimethylsilyl)ethynyl]-
CAS No: 865366-48-9 Catalog No: AG004LX5 MDL No:
Product Description
Catalog Number:
AG004LX5
Chemical Name:
4(1H)-Pyrimidinone, 2-(octylamino)-6-[(trimethylsilyl)ethynyl]-
CAS Number:
865366-48-9
Molecular Formula:
C17H29N3OSi
Molecular Weight:
319.5172
IUPAC Name:
2-(octylamino)-4-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C17H29N3OSi/c1-5-6-7-8-9-10-12-18-17-19-15(14-16(21)20-17)11-13-22(2,3)4/h14H,5-10,12H2,1-4H3,(H2,18,19,20,21)
InChI Key:
XXKGKIHPILMAKP-UHFFFAOYSA-N
SMILES:
CCCCCCCCNc1nc(=O)cc([nH]1)C#C[Si](C)(C)C
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.208g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.524g/mol
Monoisotopic Mass:
319.208g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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