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820961-73-7 | Cyclobutanecarboxamide, N-(4,6-diphenyl-2-pyrimidinyl)-
CAS No: 820961-73-7 Catalog No: AG004X24 MDL No:
Product Description
Catalog Number:
AG004X24
Chemical Name:
Cyclobutanecarboxamide, N-(4,6-diphenyl-2-pyrimidinyl)-
CAS Number:
820961-73-7
Molecular Formula:
C21H19N3O
Molecular Weight:
329.3951
IUPAC Name:
N-(4,6-diphenylpyrimidin-2-yl)cyclobutanecarboxamide
InChI:
InChI=1S/C21H19N3O/c25-20(17-12-7-13-17)24-21-22-18(15-8-3-1-4-9-15)14-19(23-21)16-10-5-2-6-11-16/h1-6,8-11,14,17H,7,12-13H2,(H,22,23,24,25)
InChI Key:
FCILSIOUGDWQSA-UHFFFAOYSA-N
SMILES:
O=C(C1CCC1)Nc1nc(cc(n1)c1ccccc1)c1ccccc1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.153g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.403g/mol
Monoisotopic Mass:
329.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| 2,4,6-trisubstituted pyrimidines as a new class of selective adenosine A1 receptor antagonists. | Journal of medicinal chemistry 20041216 |
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