Ethyl 4-Methylpyrimidine-5-carboxylate - CAS 110960-73-1
Catalog: |
BB002695 |
Product Name: |
Ethyl 4-Methylpyrimidine-5-carboxylate |
CAS: |
110960-73-1 |
Synonyms: |
4-methyl-5-pyrimidinecarboxylic acid ethyl ester; ethyl 4-methylpyrimidine-5-carboxylate |
IUPAC Name: | ethyl 4-methylpyrimidine-5-carboxylate |
Description: | Ethyl 4-Methylpyrimidine-5-carboxylate (CAS# 110960-73-1) is used as a reagent to synthesize Pyrazole (P842195) derivatives, compounds that have the ability to treat patients with lung cancer. |
Molecular Weight: | 166.18 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | CCOC(=O)C1=CN=CN=C1C |
InChI: | InChI=1S/C8H10N2O2/c1-3-12-8(11)7-4-9-5-10-6(7)2/h4-5H,3H2,1-2H3 |
InChI Key: | VVZGEVKJTLFQQS-UHFFFAOYSA-N |
Boiling Point: | 251.2 °C at 760 mmHg |
Density: | 1.133 g/cm3 |
LogP: | 0.96170 |
Publication Number | Title | Priority Date |
AU-2010304740-A1 | Pyrazole derivatives as modulators of calcium release -activated calcium channel | 20091008 |
AU-2010304740-B2 | Pyrazole derivatives as modulators of calcium release -activated calcium channel | 20091008 |
CA-2776842-A1 | Novel modulators of calcium release- activated calcium channel | 20091008 |
CA-2776842-C | Novel modulators of calcium release- activated calcium channel | 20091008 |
CA-3012610-A1 | Modulators of calcium release-activated calcium channel (crac) inhibitors | 20091008 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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