Basic information
- Standard SMILES
CCCN(c1ccccc1)c1nc(C)nc(SC)c1[N+](=O)[O-]- InChIKey
STXQFSIOOHYLFC-UHFFFAOYSA-N- Molecular formula
- C15H18N4O2S
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.115047
Names & identifiers
- Preferred name
- 2-methyl-6-methylsulfanyl-5-nitro-N-phenyl-N-propylpyrimidin-4-amine
- IUPAC
- 2-methyl-6-methylsulfanyl-5-nitro-N-phenyl-N-propylpyrimidin-4-amine
Names & synonyms
SCHEMBL9126510
Database identifiers
- PubChem CID
- 20085428
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 360
Related reactions
1 records
Compound notes
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