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851371-22-7 | 4'-(Furan-2-yl);-N-(pyridin-3-yl);-[4,5'-bipyrimidin]-2'-amine
CAS No: 851371-22-7 Catalog No: AG004XB9 MDL No:MFCD19703267
Product Description
Catalog Number:
AG004XB9
Chemical Name:
4'-(Furan-2-yl);-N-(pyridin-3-yl);-[4,5'-bipyrimidin]-2'-amine
CAS Number:
851371-22-7
Molecular Formula:
C17H12N6O
Molecular Weight:
316.3168
MDL Number:
MFCD19703267
IUPAC Name:
4-(furan-2-yl)-N-pyridin-3-yl-5-pyrimidin-4-ylpyrimidin-2-amine
InChI:
InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
InChI Key:
YRPIMMMBNUUYLG-UHFFFAOYSA-N
SMILES:
n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1
UNII:
168SF9F04E
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.107g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.324g/mol
Monoisotopic Mass:
316.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Discovery of N-(5,6-diarylpyridin-2-yl)amide derivatives as potent and selective A(2B) adenosine receptor antagonists. | Bioorganic & medicinal chemistry letters 20100301 |
| Discovery and characterization of 4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-amine (LAS38096), a potent, selective, and efficacious A2B adenosine receptor antagonist. | Journal of medicinal chemistry 20070531 |
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