Basic information
- CAS
76360-91-3- Standard SMILES
CCOC(=O)c1cnc(SC)nc1NCCOC- InChIKey
OBPYZVROYLYZBQ-UHFFFAOYSA-N- Molecular formula
- C11H17N3O3S
- Average molar mass
- 271.34 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[(2-methoxyethyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate
- IUPAC
- ethyl 4-(2-methoxyethylamino)-2-methylsulfanylpyrimidine-5-carboxylate
- English name
- Ethyl 4-[(2-methoxyethyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate
- Molecular formula
- C11H17N3O3S
- Molecular weight
- 271.34
Names & synonyms
76360-91-3ethyl 4-[(2-methoxyethyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylateethyl 4-(2-methoxyethylamino)-2-methylsulfanylpyrimidine-5-carboxylateethyl 4-[(2-methoxyethyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylateMLS000764263CHEMBL1300304SCHEMBL11157944HMS2690I24AKOS0051014107N-541SSMR000335086ethyl4-[(2-methoxyethyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate
Show more names
5-Pyrimidinecarboxylic acid, 4-[(2-methoxyethyl)amino]-2-(methylthio)-, ethyl ester
Database identifiers
- CAS
76360-91-3- ChEMBL
CHEMBL1300304
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 256
Experimental & physicochemical properties
Solubility>40.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 422 · 422.0±35.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 2.79 · 2.79±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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