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832075-92-0 | Ethanol, 2-[[2-amino-6-(2-thienyl)-4-pyrimidinyl]amino]-
CAS No: 832075-92-0 Catalog No: AG004VL8 MDL No:
Product Description
Catalog Number:
AG004VL8
Chemical Name:
Ethanol, 2-[[2-amino-6-(2-thienyl)-4-pyrimidinyl]amino]-
CAS Number:
832075-92-0
Molecular Formula:
C10H12N4OS
Molecular Weight:
236.2935
IUPAC Name:
2-[(2-amino-6-thiophen-2-ylpyrimidin-4-yl)amino]ethanol
InChI:
InChI=1S/C10H12N4OS/c11-10-13-7(8-2-1-5-16-8)6-9(14-10)12-3-4-15/h1-2,5-6,15H,3-4H2,(H3,11,12,13,14)
InChI Key:
PSVGHGHVBRZNKQ-UHFFFAOYSA-N
SMILES:
OCCNc1nc(N)nc(c1)c1cccs1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.293g/mol
Monoisotopic Mass:
236.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Syntheses of 2,4,6-trisubstituted pyrimidine derivatives as a new class of antifilarial topoisomerase II inhibitors. | Bioorganic & medicinal chemistry letters 20050103 |
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