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823794-29-2 | 1-Butanone, 1-[4-(dimethylamino)-2-phenyl-5-pyrimidinyl]-
CAS No: 823794-29-2 Catalog No: AG005D6E MDL No:
Product Description
Catalog Number:
AG005D6E
Chemical Name:
1-Butanone, 1-[4-(dimethylamino)-2-phenyl-5-pyrimidinyl]-
CAS Number:
823794-29-2
Molecular Formula:
C16H19N3O
Molecular Weight:
269.3416
IUPAC Name:
1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]butan-1-one
InChI:
InChI=1S/C16H19N3O/c1-4-8-14(20)13-11-17-15(18-16(13)19(2)3)12-9-6-5-7-10-12/h5-7,9-11H,4,8H2,1-3H3
InChI Key:
JOPFISPBANEJRH-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cnc(nc1N(C)C)c1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.348g/mol
Monoisotopic Mass:
269.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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