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156973-14-7 | 2,4(1H,3H)-Pyrimidinedione, 5-ethynyl-1-[(2-hydroxyethoxy)methyl]-
CAS No: 156973-14-7 Catalog No: AG001P4M MDL No:
Product Description
Catalog Number:
AG001P4M
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-ethynyl-1-[(2-hydroxyethoxy)methyl]-
CAS Number:
156973-14-7
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
IUPAC Name:
5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C9H10N2O4/c1-2-7-5-11(6-15-4-3-12)9(14)10-8(7)13/h1,5,12H,3-4,6H2,(H,10,13,14)
InChI Key:
WAXIUEZBEULFPU-UHFFFAOYSA-N
SMILES:
OCCOCn1cc(C#C)c(=O)[nH]c1=O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of acyclic 3-[(2-hydroxyethoxy)methyl] analogues of antiviral furo- and pyrrolo[2,3-d]pyrimidine nucleosides. | Journal of medicinal chemistry 20050714 |
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