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131194-00-8 | 2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-6-methoxy-5-methyl-
CAS No: 131194-00-8 Catalog No: AG000VOR MDL No:
Product Description
Catalog Number:
AG000VOR
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-6-methoxy-5-methyl-
CAS Number:
131194-00-8
Molecular Formula:
C9H14N2O5
Molecular Weight:
230.2179
IUPAC Name:
1-(2-hydroxyethoxymethyl)-6-methoxy-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C9H14N2O5/c1-6-7(13)10-9(14)11(8(6)15-2)5-16-4-3-12/h12H,3-5H2,1-2H3,(H,10,13,14)
InChI Key:
ZGCYJTDWRJBEGZ-UHFFFAOYSA-N
SMILES:
OCCOCn1c(=O)[nH]c(=O)c(c1OC)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.22g/mol
Monoisotopic Mass:
230.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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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