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125083-81-0 | 2,4(1H,3H)-Pyrimidinedione, 6-ethenyl-1-[(2-hydroxyethoxy)methyl]-5-methyl-
CAS No: 125083-81-0 Catalog No: AG000N3O MDL No:
Product Description
Catalog Number:
AG000N3O
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-ethenyl-1-[(2-hydroxyethoxy)methyl]-5-methyl-
CAS Number:
125083-81-0
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
IUPAC Name:
6-ethenyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C10H14N2O4/c1-3-8-7(2)9(14)11-10(15)12(8)6-16-5-4-13/h3,13H,1,4-6H2,2H3,(H,11,14,15)
InChI Key:
RVVIDXKPNPHISP-UHFFFAOYSA-N
SMILES:
Cc1c(C=C)n(COCCO)c(=O)[nH]c1=O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.232g/mol
Monoisotopic Mass:
226.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| A new class of HIV-1-specific 6-substituted acyclouridine derivatives: synthesis and anti-HIV-1 activity of 5- or 6-substituted analogues of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT). | Journal of medicinal chemistry 19910101 |
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