200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 125056-88-4
125056-88-4 | 2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(1-propyn-1-yl)-
CAS No: 125056-88-4 Catalog No: AG000N2H MDL No:
Product Description
Catalog Number:
AG000N2H
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(1-propyn-1-yl)-
CAS Number:
125056-88-4
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
IUPAC Name:
1-(2-hydroxyethoxymethyl)-5-methyl-6-prop-1-ynylpyrimidine-2,4-dione
InChI:
InChI=1S/C11H14N2O4/c1-3-4-9-8(2)10(15)12-11(16)13(9)7-17-6-5-14/h14H,5-7H2,1-2H3,(H,12,15,16)
InChI Key:
AWSAOTZCPBDVQT-UHFFFAOYSA-N
SMILES:
Cc1c(C#CC)n(COCCO)c(=O)[nH]c1=O
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.