Basic information
- CAS
284681-95-4- Standard SMILES
CCCCSc1nc(N)cc(Sc2ccccc2)n1- InChIKey
AGQUGFOFTNODQE-UHFFFAOYSA-N- Molecular formula
- C14H17N3S2
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.0863899
Names & identifiers
- Preferred name
- 4-Pyrimidinamine, 2-(butylthio)-6-(phenylthio)-
- IUPAC
- 2-butylsulfanyl-6-phenylsulfanylpyrimidin-4-amine
- English name
- Aids092367
- Molecular formula
- C14H17N3S2
- Molecular weight
- 291.43488
Names & synonyms
284681-95-44-Pyrimidinamine, 2-(butylthio)-6-(phenylthio)-2-(Butylthio)-6-(phenylthio)pyrimidin-4-amine2-(butylsulfanyl)-6-(phenylsulfanyl)pyrimidin-4-amineDTXSID001826932-butylsulfanyl-6-phenylsulfanyl-pyrimidin-4-amineAids092367Aids-0923672-N-Butylthio-6-phenylthio-4-aminopyrimidine
Database identifiers
- CAS
284681-95-4- PubChem CID
- 478117
- DTXSID
DTXSID00182693- Nikkaji
- J1.320.190K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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