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903475-61-6 | 1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-methylpyrimidin-5-yl]ethanone
CAS No: 903475-61-6 Catalog No: AG018WWI MDL No:
Product Description
Catalog Number:
AG018WWI
Chemical Name:
1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-methylpyrimidin-5-yl]ethanone
CAS Number:
903475-61-6
Molecular Formula:
C16H17N3O
Molecular Weight:
267.3257
IUPAC Name:
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyrimidin-5-yl]ethanone
InChI:
InChI=1S/C16H17N3O/c1-11-15(12(2)20)9-17-16(18-11)19-8-7-13-5-3-4-6-14(13)10-19/h3-6,9H,7-8,10H2,1-2H3
InChI Key:
MTIWFZHRCVKVIL-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnc(nc1C)N1CCc2c(C1)cccc2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.332g/mol
Monoisotopic Mass:
267.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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