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Home > Imidazoles > 144552-28-3
144552-28-3 | 1-Butanone, 2-(4,6-dimethoxy-2-pyrimidinyl)-1-(1H-imidazol-1-yl)-3-methyl-
CAS No: 144552-28-3 Catalog No: AG001JQN MDL No:
Product Description
Catalog Number:
AG001JQN
Chemical Name:
1-Butanone, 2-(4,6-dimethoxy-2-pyrimidinyl)-1-(1H-imidazol-1-yl)-3-methyl-
CAS Number:
144552-28-3
Molecular Formula:
C14H18N4O3
Molecular Weight:
290.3177
IUPAC Name:
2-(4,6-dimethoxypyrimidin-2-yl)-1-imidazol-1-yl-3-methylbutan-1-one
InChI:
InChI=1S/C14H18N4O3/c1-9(2)12(14(19)18-6-5-15-8-18)13-16-10(20-3)7-11(17-13)21-4/h5-9,12H,1-4H3
InChI Key:
KJJSIEPLYVQCMS-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)C(C(=O)n1cncc1)C(C)C
Properties
Complexity:
341
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:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.323g/mol
Monoisotopic Mass:
290.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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