4-Pyrimidinamine, 2-((4-chlorophenyl)thio)-6-(1-methylpropoxy)-
Basic information
- CAS
284681-50-1- Standard SMILES
CCC(C)Oc1cc(N)nc(Sc2ccc(Cl)cc2)n1- InChIKey
WYVNLECNGANDDZ-UHFFFAOYSA-N- Molecular formula
- C14H16ClN3OS
- Average molar mass
- 309.8 g/mol
- Monoisotopic mass
- 309.070261
Names & identifiers
- Preferred name
- 4-Pyrimidinamine, 2-((4-chlorophenyl)thio)-6-(1-methylpropoxy)-
- IUPAC
- 6-butan-2-yloxy-2-(4-chlorophenyl)sulfanylpyrimidin-4-amine
Names & synonyms
284681-50-16-sec-Butoxy-2-(4-chloro-phenylsulfanyl)-pyrimidin-4-ylamine4-Pyrimidinamine, 2-((4-chlorophenyl)thio)-6-(1-methylpropoxy)-4-Pyrimidinamine, 2-[(4-chlorophenyl)thio]-6-(1-methylpropoxy)-RefChem:2960856-(sec-Butoxy)-2-((4-chlorophenyl)thio)pyrimidin-4-amineDTXSID709511162-(4-chlorophenyl)sulfanyl-6-sec-butoxy-pyrimidin-4-amine6-(s-butoxy)-2-((4-chlorophenyl)thio)pyrimidin-4-amine6-[(Butan-2-yl)oxy]-2-[(4-chlorophenyl)sulfanyl]pyrimidin-4-amine
Database identifiers
- CAS
284681-50-1- PubChem CID
- 478091
- DTXSID
DTXSID70951116- Nikkaji
- J1.320.162E
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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