4-Pyrimidinamine, 2-((2-chlorophenyl)thio)-6-(1-methylpropoxy)-
Basic information
- CAS
284681-48-7- Standard SMILES
CCC(C)Oc1cc(N)nc(Sc2ccccc2Cl)n1- InChIKey
VYZJRKMETONYCG-UHFFFAOYSA-N- Molecular formula
- C14H16ClN3OS
- Average molar mass
- 309.8 g/mol
- Monoisotopic mass
- 309.070261
Names & identifiers
- Preferred name
- 4-Pyrimidinamine, 2-((2-chlorophenyl)thio)-6-(1-methylpropoxy)-
- IUPAC
- 6-butan-2-yloxy-2-(2-chlorophenyl)sulfanylpyrimidin-4-amine
Names & synonyms
284681-48-76-(sec-Butoxy)-2-((2-chlorophenyl)thio)pyrimidin-4-amine4-Pyrimidinamine, 2-((2-chlorophenyl)thio)-6-(1-methylpropoxy)-4-Pyrimidinamine, 2-[(2-chlorophenyl)thio]-6-(1-methylpropoxy)-6-sec-Butoxy-2-(2-chloro-phenylthio)pyrimidin-4-ylamineDTXSID509511142-(2-chlorophenyl)sulfanyl-6-sec-butoxy-pyrimidin-4-amine6-sec-Butoxy-2-(2-chloro-phenylsulfanyl)-pyrimidin-4-ylamine6-[(Butan-2-yl)oxy]-2-[(2-chlorophenyl)sulfanyl]pyrimidin-4-amine
Database identifiers
- CAS
284681-48-7- PubChem CID
- 478089
- DTXSID
DTXSID50951114- Nikkaji
- J1.320.160I
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
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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