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820961-46-4 | Butanamide, N-(2,6-diphenyl-4-pyrimidinyl)-2-ethyl-
CAS No: 820961-46-4 Catalog No: AG005C5N MDL No:
Product Description
Catalog Number:
AG005C5N
Chemical Name:
Butanamide, N-(2,6-diphenyl-4-pyrimidinyl)-2-ethyl-
CAS Number:
820961-46-4
Molecular Formula:
C22H23N3O
Molecular Weight:
345.4375
IUPAC Name:
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide
InChI:
InChI=1S/C22H23N3O/c1-3-16(4-2)22(26)25-20-15-19(17-11-7-5-8-12-17)23-21(24-20)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,23,24,25,26)
InChI Key:
ZMYSFVQFZFGCMP-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Nc1cc(nc(n1)c1ccccc1)c1ccccc1)CC
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.184g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.446g/mol
Monoisotopic Mass:
345.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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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