Ethyl 2-(methylthio)-4-(phenylamino)pyrimidine-5-carboxylate
Basic information
- CAS
106475-47-2- Standard SMILES
CCOC(=O)c1cnc(SC)nc1Nc1ccccc1- InChIKey
KHSBXCCTANEKRH-UHFFFAOYSA-N- Molecular formula
- C14H15N3O2S
- Average molar mass
- 289.35 g/mol
- Monoisotopic mass
- 289.0884979
Names & identifiers
- Preferred name
- Ethyl 2-(methylthio)-4-(phenylamino)pyrimidine-5-carboxylate
- IUPAC
- ethyl 4-anilino-2-methylsulfanylpyrimidine-5-carboxylate
- English name
- ethyl 4-anilino-2-(methylsulfanyl)pyrimidine-5-carboxylate
- Molecular formula
- C14H15N3O2S
- Molecular weight
- 289.35
Names & synonyms
106475-47-2Ethyl 2-(methylthio)-4-(phenylamino)pyrimidine-5-carboxylateDTXSID50304282RefChem:342523DTXCID20255414ethyl 4-anilino-2-methylsulfanylpyrimidine-5-carboxylateethyl 4-anilino-2-(methylsulfanyl)pyrimidine-5-carboxylateethyl 2-(methylsulfanyl)-4-(phenylamino)pyrimidine-5-carboxylateKHSBXCCTANEKRH-UHFFFAOYSA-NNSC165273Oprea1_356430Oprea1_701593
Show more names
5-Pyrimidinecarboxylic acid, 2-(methylthio)-4-(phenylamino)-, ethyl ester
SCHEMBL1313596Ethyl2-(methylthio)-4-(phenylamino)pyrimidine-5-carboxylateHMS1679H12STL170146AKOS000554739NSC-165273SB59944DA-34407
Database identifiers
- CAS
106475-47-2- PubChem CID
- 295672
- DTXSID
DTXSID50304282
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Related reactions
3 records
Compound notes
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