Ethyl 6-Amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate - CAS 774-07-2
Catalog: |
BB035928 |
Product Name: |
Ethyl 6-Amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate |
CAS: |
774-07-2 |
Synonyms: |
6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid ethyl ester; ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate |
IUPAC Name: | ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate |
Description: | Ethyl 6-Amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate (CAS# 774-07-2) is a compound useful in organic synthesis. |
Molecular Weight: | 199.23 |
Molecular Formula: | C7H9N3O2S |
Canonical SMILES: | CCOC(=O)C1=C(NC(=S)N=C1)N |
InChI: | InChI=1S/C7H9N3O2S/c1-2-12-6(11)4-3-9-7(13)10-5(4)8/h3H,2H2,1H3,(H3,8,9,10,13) |
InChI Key: | DKTWKRWWQKVQQB-UHFFFAOYSA-N |
Boiling Point: | 329.7 °C at 760 mmHg |
Density: | 1.48 g/cm3 |
MDL: | MFCD00023227 |
LogP: | 1.10540 |
Publication Number | Title | Priority Date |
CN-107849059-B | 7-phenylethylamino-4H-pyrimido [4,5-D ] [1,3] oxazin-2-one compounds and their use as inhibitors of mutant IDH1 | 20150727 |
EP-3328866-A1 | 7-phenylethylamino-4h-pyrimido[4,5-d][1,3]oxazin-2-one compounds and theit use as mutant idh1 inhibitors | 20150727 |
EP-3328866-B1 | 7-phenylethylamino-4h-pyrimido[4,5-d][1,3]oxazin-2-one compounds and theit use as mutant idh1 inhibitors | 20150727 |
ES-2764523-T3 | 7-Phenylethylamino-4H-pyrimido [4,5-D] [1,3] oxazin-2-one compounds and their use as mutant IDH1 inhibitors | 20150727 |
JP-2018525369-A | 7-Phenylethylamino-4H-pyrimido [4,5-D] [1,3] oxazin-2-one compounds and their use as mutant IDH1 inhibitors | 20150727 |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.04154771 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.04154771 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 109 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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