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Home > Pyridines > 175885-51-5
175885-51-5 | 2,4(1H,3H)-Pyrimidinedione, 1-([2,2'-bipyridin]-5-ylmethyl)-5-methyl-
CAS No: 175885-51-5 Catalog No: AG002198 MDL No:
Product Description
Catalog Number:
AG002198
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-([2,2'-bipyridin]-5-ylmethyl)-5-methyl-
CAS Number:
175885-51-5
Molecular Formula:
C16H14N4O2
Molecular Weight:
294.3080
IUPAC Name:
5-methyl-1-[(6-pyridin-2-ylpyridin-3-yl)methyl]pyrimidine-2,4-dione
InChI:
InChI=1S/C16H14N4O2/c1-11-9-20(16(22)19-15(11)21)10-12-5-6-14(18-8-12)13-4-2-3-7-17-13/h2-9H,10H2,1H3,(H,19,21,22)
InChI Key:
BATPATOYYFDGKT-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)n(cc1C)Cc1ccc(nc1)c1ccccn1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.314g/mol
Monoisotopic Mass:
294.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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