Basic information
- CAS
108123-22-4- Standard SMILES
CCOC(=O)c1cnc(SC)nc1Nc1ccc(C)cc1- InChIKey
WWSLLMKEKXBXIU-UHFFFAOYSA-N- Molecular formula
- C15H17N3O2S
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.10414797
Names & identifiers
- Preferred name
- Ethyl 4-(4-methylanilino)-2-methylsulfanylpyrimidine-5-carboxylate
- IUPAC
- ethyl 4-(4-methylanilino)-2-methylsulfanylpyrimidine-5-carboxylate
Names & synonyms
108123-22-4Ethyl 4-[(4-methylphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylateNSC165274ethyl 4-(4-methylanilino)-2-methylsulfanylpyrimidine-5-carboxylateOprea1_755295Oprea1_790030DTXSID101154720AKOS024353194NSC-165274ST50979131Ethyl 4-(4-methylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylateethyl 4-[(4-methylphenyl)amino]-2-methylthiopyrimidine-5-carboxylate
Database identifiers
- CAS
108123-22-4- PubChem CID
- 295673
- DTXSID
DTXSID101154720
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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