4-Pyrimidinamine, 2-(butylthio)-6-chloro-
Basic information
- CAS
90153-59-6- Standard SMILES
CCCCSc1nc(N)cc(Cl)n1- InChIKey
POAIREIPSMXHRU-UHFFFAOYSA-N- Molecular formula
- C8H12ClN3S
- Average molar mass
- 217.72 g/mol
- Monoisotopic mass
- 217.0440463
Names & identifiers
- Preferred name
- 4-Pyrimidinamine, 2-(butylthio)-6-chloro-
- IUPAC
- 2-butylsulfanyl-6-chloropyrimidin-4-amine
Names & synonyms
4-Pyrimidinamine, 2-(butylthio)-6-chloro-90153-59-62-Butylsulfanyl-6-chloro-pyrimidin-4-ylamine2-(butylsulfanyl)-6-chloropyrimidin-4-amineDTXSID002380482-butylsulfanyl-6-chloro-pyrimidin-4-amine
Database identifiers
- CAS
90153-59-6- PubChem CID
- 478115
- DTXSID
DTXSID00238048- Nikkaji
- J1.320.188I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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