Ethyl 4-(3-aminophenoxy)-2-(methylsulfanyl)-5-pyrimidinecarboxylate
Basic information
- CAS
551920-92-4- Standard SMILES
CCOC(=O)c1cnc(SC)nc1Oc1cccc(N)c1- InChIKey
FLESTKZWRARSDX-UHFFFAOYSA-N- Molecular formula
- C14H15N3O3S
- Average molar mass
- 305.35 g/mol
- Monoisotopic mass
- 305.08341252
Names & identifiers
- Preferred name
- Ethyl 4-(3-aminophenoxy)-2-(methylsulfanyl)-5-pyrimidinecarboxylate
- IUPAC
- ethyl 4-(3-aminophenoxy)-2-methylsulfanylpyrimidine-5-carboxylate
- English name
- Ethyl 4-(3-aminophenoxy)-2-(methylsulfanyl)-5-pyrimidinecarboxylate
- Molecular formula
- C14H15N3O3S
- Molecular weight
- 305.35
Names & synonyms
551920-92-4ethyl 4-(3-aminophenoxy)-2-(methylsulfanyl)-5-pyrimidinecarboxylateethyl 4-(3-aminophenoxy)-2-(methylsulfanyl)pyrimidine-5-carboxylateethyl 4-(3-aminophenoxy)-2-methylsulfanylpyrimidine-5-carboxylateDTXSID001176044MFCD02187437AKOS0050943375R-1170Ethyl 4-(3-aminophenoxy)-2-(methylthio)-5-pyrimidinecarboxylateEthyl 4-(3-aminophenoxy)-2-(methylthio)pyrimidine-5-carboxylateethyl 4-(3-aminophenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylateethyl4-(3-aminophenoxy)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Show more names
5-Pyrimidinecarboxylic acid, 4-(3-aminophenoxy)-2-(methylthio)-, ethyl ester
Database identifiers
- CAS
551920-92-4- PubChem CID
- 3736727
- DTXSID
DTXSID001176044
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 476.6 · 476.6±35.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 3.1 · 3.10±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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