Ethyl 4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carboxylate - CAS 583878-42-6
Catalog: |
BB030023 |
Product Name: |
Ethyl 4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carboxylate |
CAS: |
583878-42-6 |
Synonyms: |
4-chloro-6-methyl-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester; ethyl 4-chloro-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate |
IUPAC Name: | ethyl 4-chloro-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate |
Description: | Ethyl 4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carboxylate (CAS# 583878-42-6) is a useful research chemical. |
Molecular Weight: | 246.71 |
Molecular Formula: | C9H11ClN2O2S |
Canonical SMILES: | CCOC(=O)C1=C(N=C(N=C1Cl)SC)C |
InChI: | InChI=1S/C9H11ClN2O2S/c1-4-14-8(13)6-5(2)11-9(15-3)12-7(6)10/h4H2,1-3H3 |
InChI Key: | IVZWCVGIENDCRO-UHFFFAOYSA-N |
MDL: | MFCD08063161 |
LogP: | 2.33700 |
Publication Number | Title | Priority Date |
TW-201639845-A | Novel heteroaryl and heterocyclic compounds, compositions and methods thereof | 20150129 |
WO-2016119707-A1 | Novel heteroaryl and heterocycle compounds, compositions and methods | 20150129 |
KR-20150002952-A | Pharmaceutical composition for preventing and treating metabolic bone diseases which comprises pyridopyrimidine derivatives | 20130627 |
EP-2900639-A1 | Bicyclic dihydropyridone kinase inhibitors | 20120927 |
EP-2900639-B1 | Bicyclic dihydropyridone kinase inhibitors | 20120927 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.0229765 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.0229765 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 77.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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