Basic information
- Standard SMILES
CCOC(=O)c1cnc(SC)nc1NC1(c2ccccc2)CC1- InChIKey
JTLIOFGROHUKHH-UHFFFAOYSA-N- Molecular formula
- C17H19N3O2S
- Average molar mass
- 329.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(methylthio)-4-(1-phenylcyclopropylamino)pyrimidine-5-carboxylate
- IUPAC
- ethyl 2-methylsulfanyl-4-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate
Names & synonyms
SCHEMBL913700JTLIOFGROHUKHH-UHFFFAOYSA-Nethyl 2-(methylthio)-4-(1-phenylcyclopropylamino)pyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 58098733
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 411
Related reactions
6 records
Compound notes
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