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681845-80-7 | Imidazo[1,2-a]pyrimidin-5(1H)-one, 7-ethoxy-2-(1-ethylpentyl)-3-methyl-
CAS No: 681845-80-7 Catalog No: AG005YM0 MDL No:
Product Description
Catalog Number:
AG005YM0
Chemical Name:
Imidazo[1,2-a]pyrimidin-5(1H)-one, 7-ethoxy-2-(1-ethylpentyl)-3-methyl-
CAS Number:
681845-80-7
Molecular Formula:
C16H25N3O2
Molecular Weight:
291.3886
IUPAC Name:
7-ethoxy-2-heptan-3-yl-3-methyl-1H-imidazo[1,2-a]pyrimidin-5-one
InChI:
InChI=1S/C16H25N3O2/c1-5-8-9-12(6-2)15-11(4)19-14(20)10-13(21-7-3)17-16(19)18-15/h10,12H,5-9H2,1-4H3,(H,17,18)
InChI Key:
KZKKQKDWPFGHFK-UHFFFAOYSA-N
SMILES:
CCCCC(c1[nH]c2n(c1C)c(=O)cc(n2)OCC)CC
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.195g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.395g/mol
Monoisotopic Mass:
291.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
53.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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