Diethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate - CAS 149771-08-4
Catalog: |
BB010443 |
Product Name: |
Diethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate |
CAS: |
149771-08-4 |
Synonyms: |
2-(methylthio)pyrimidine-4,5-dicarboxylic acid diethyl ester; diethyl 2-methylsulfanylpyrimidine-4,5-dicarboxylate |
IUPAC Name: | diethyl 2-methylsulfanylpyrimidine-4,5-dicarboxylate |
Description: | Diethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate can be prepared to be used as HIV integrase inhibitors. |
Molecular Weight: | 270.30 |
Molecular Formula: | C11H14N2O4S |
Canonical SMILES: | CCOC(=O)C1=CN=C(N=C1C(=O)OCC)SC |
InChI: | InChI=1S/C11H14N2O4S/c1-4-16-9(14)7-6-12-11(18-3)13-8(7)10(15)17-5-2/h6H,4-5H2,1-3H3 |
InChI Key: | RVHLRUKDQWAVPR-UHFFFAOYSA-N |
Boiling Point: | 367.7 °C at 760 mmHg |
Density: | 1.28 g/cm3 |
LogP: | 1.55190 |
Publication Number | Title | Priority Date |
EP-1625130-A2 | Hiv integrase inhibitors | 20030428 |
KR-20060006047-A | HIV Integrase Inhibitor | 20030428 |
US-2006211724-A1 | Hiv integrase inhibitors | 20030428 |
WO-2004096807-A2 | Hiv integrase inhibitors | 20030428 |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.06742811 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.06742811 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 104 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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