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823794-05-4 | 1-Pentanone, 1-[4-(dimethylamino)-2-(2-hydroxyphenyl)-5-pyrimidinyl]-
CAS No: 823794-05-4 Catalog No: AG0053EP MDL No:
Product Description
Catalog Number:
AG0053EP
Chemical Name:
1-Pentanone, 1-[4-(dimethylamino)-2-(2-hydroxyphenyl)-5-pyrimidinyl]-
CAS Number:
823794-05-4
Molecular Formula:
C17H21N3O2
Molecular Weight:
299.3675
IUPAC Name:
1-[4-(dimethylamino)-2-(2-hydroxyphenyl)pyrimidin-5-yl]pentan-1-one
InChI:
InChI=1S/C17H21N3O2/c1-4-5-9-15(22)13-11-18-16(19-17(13)20(2)3)12-8-6-7-10-14(12)21/h6-8,10-11,21H,4-5,9H2,1-3H3
InChI Key:
XLUQVTAJLYGLFS-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1cnc(nc1N(C)C)c1ccccc1O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.374g/mol
Monoisotopic Mass:
299.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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