Ethyl 4-(Methylamino)-2-(methylthio)pyrimidine-5-carboxylate - CAS 76360-82-2
Catalog: |
BB035557 |
Product Name: |
Ethyl 4-(Methylamino)-2-(methylthio)pyrimidine-5-carboxylate |
CAS: |
76360-82-2 |
Synonyms: |
4-(methylamino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester; ethyl 4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxylate |
IUPAC Name: | ethyl 4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxylate |
Description: | An intermediate in the preparation of antitumor agents, antiinflammatory agents and tyrosine kinase inhibitors. |
Molecular Weight: | 227.28 |
Molecular Formula: | C9H13N3O2S |
Canonical SMILES: | CCOC(=O)C1=CN=C(N=C1NC)SC |
InChI: | InChI=1S/C9H13N3O2S/c1-4-14-8(13)6-5-11-9(15-3)12-7(6)10-2/h5H,4H2,1-3H3,(H,10,11,12) |
InChI Key: | VDDZMXQAZJMGPK-UHFFFAOYSA-N |
Boiling Point: | 368.9 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
LogP: | 1.48990 |
Publication Number | Title | Priority Date |
KR-20210092358-A | 7-amino-3,4-dihydropyrimido pyrimidin-2-one derivatives as protein kinase inhibitors and pharmaceutical compositions for treating disease containing the same | 20200115 |
WO-2021145520-A1 | 7-amino-3,4-dihydropyrimidopyrimidin-2-one derivative having inhibitory activity for protein kinases and therapeutic pharmaceutical composition comprising same | 20200115 |
WO-2020232190-A1 | Protein kinase inhibitors and uses thereof for the treatment of diseases and conditions | 20190516 |
TW-201910331-A | Fibroblast growth factor receptor inhibitor, pharmaceutical preparation containing the same, and use thereof | 20170808 |
WO-2019029541-A1 | FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITOR AND USE THEREOF | 20170808 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.07284784 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.07284784 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 89.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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