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820961-48-6 | Propanamide, N-(2,6-diphenyl-4-pyrimidinyl)-2,2-dimethyl-
CAS No: 820961-48-6 Catalog No: AG004X2B MDL No:
Product Description
Catalog Number:
AG004X2B
Chemical Name:
Propanamide, N-(2,6-diphenyl-4-pyrimidinyl)-2,2-dimethyl-
CAS Number:
820961-48-6
Molecular Formula:
C21H21N3O
Molecular Weight:
331.4109
IUPAC Name:
N-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropanamide
InChI:
InChI=1S/C21H21N3O/c1-21(2,3)20(25)24-18-14-17(15-10-6-4-7-11-15)22-19(23-18)16-12-8-5-9-13-16/h4-14H,1-3H3,(H,22,23,24,25)
InChI Key:
KJCBHRQSYMTEIS-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1cc(nc(n1)c1ccccc1)c1ccccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.419g/mol
Monoisotopic Mass:
331.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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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