6-sec-Butoxy-2-m-tolylsulfanyl-pyrimidin-4-ylamine

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Basic information

CAS: 284681-46-5
Standard SMILES: CCC(C)Oc1cc(N)nc(Sc2cccc(C)c2)n1
InChIKey: MGHQYNZKXNVEGN-UHFFFAOYSA-N
Molecular formula: C15H19N3OS
Average molar mass: 289.4 g/mol
Monoisotopic mass: 289.12488341

Names & identifiers

Preferred name: 6-sec-Butoxy-2-m-tolylsulfanyl-pyrimidin-4-ylamine
IUPAC: 6-butan-2-yloxy-2-(3-methylphenyl)sulfanylpyrimidin-4-amine

Names & synonyms

284681-46-56-sec-Butoxy-2-m-tolylsulfanyl-pyrimidin-4-ylamine6-(sec-Butoxy)-2-(m-tolylthio)pyrimidin-4-amine4-Pyrimidinamine, 2-((3-methylphenyl)thio)-6-(1-methylpropoxy)-4-Pyrimidinamine, 2-[(3-methylphenyl)thio]-6-(1-methylpropoxy)-DTXSID309511122-(m-tolylsulfanyl)-6-sec-butoxy-pyrimidin-4-amine6-[(Butan-2-yl)oxy]-2-[(3-methylphenyl)sulfanyl]pyrimidin-4-amine

Database identifiers

CAS: 284681-46-5
PubChem CID: 478087
DTXSID: DTXSID30951112
Nikkaji: J1.320.158G

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 86.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 292

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Compound notes

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