Ethyl 4-Amino-2-(methylthio)pyrimidine-5-carboxylate - CAS 776-53-4
Catalog: |
BB036005 |
Product Name: |
Ethyl 4-Amino-2-(methylthio)pyrimidine-5-carboxylate |
CAS: |
776-53-4 |
Synonyms: |
4-amino-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester; ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate |
IUPAC Name: | ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate |
Description: | Used for preparation of pyrimidopyrimidines as protein kinase inhibitors. |
Molecular Weight: | 213.26 |
Molecular Formula: | C8H11N3O2S |
Canonical SMILES: | CCOC(=O)C1=CN=C(N=C1N)SC |
InChI: | InChI=1S/C8H11N3O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3,(H2,9,10,11) |
InChI Key: | QINRQIZOBCQKAZ-UHFFFAOYSA-N |
Boiling Point: | 370.3 °C at 760 mmHg |
Density: | 1.31 g/cm3 |
MDL: | MFCD00090781 |
LogP: | 1.53860 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020232190-A1 | Protein kinase inhibitors and uses thereof for the treatment of diseases and conditions | 20190516 |
KR-102164589-B1 | Pyrido[2,3-d]pyrimidin-7(8H)-one derivatives and Composition for skin whitening and Pharmaceutical composition for use in preventing or treating disorders of Melanin Hyperpigmentation containing the same as an active ingredient | 20190226 |
KR-20200104478-A | Pyrido[2,3-d]pyrimidin-7(8H)-one derivatives and Composition for skin whitening and Pharmaceutical composition for use in preventing or treating disorders of Melanin Hyperpigmentation containing the same as an active ingredient | 20190226 |
CN-109384790-A | Fibroblast growth factor acceptor inhibitor and application thereof | 20170808 |
TW-201910331-A | Fibroblast growth factor receptor inhibitor, pharmaceutical preparation containing the same, and use thereof | 20170808 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.05719778 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.05719778 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 103 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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