2-(3-Amino-phenylsulfanyl)-6-sec-butoxy-pyrimidin-4-ylamine
Basic information
- CAS
284681-56-7- Standard SMILES
CCC(C)Oc1cc(N)nc(Sc2cccc(N)c2)n1- InChIKey
OGTPUDOCWYFNIW-UHFFFAOYSA-N- Molecular formula
- C14H18N4OS
- Average molar mass
- 290.39 g/mol
- Monoisotopic mass
- 290.12013238
Names & identifiers
- Preferred name
- 2-(3-Amino-phenylsulfanyl)-6-sec-butoxy-pyrimidin-4-ylamine
- IUPAC
- 2-(3-aminophenyl)sulfanyl-6-butan-2-yloxypyrimidin-4-amine
Names & synonyms
284681-56-72-((3-Aminophenyl)thio)-6-(sec-butoxy)pyrimidin-4-amine2-(3-Amino-phenylsulfanyl)-6-sec-butoxy-pyrimidin-4-ylamine4-Pyrimidinamine, 2-((3-aminophenyl)thio)-6-(1-methylpropoxy)-4-Pyrimidinamine, 2-[(3-aminophenyl)thio]-6-(1-methylpropoxy)-DTXSID809511222-(3-aminophenyl)sulfanyl-6-sec-butoxy-pyrimidin-4-amine2-[(3-Aminophenyl)sulfanyl]-6-[(butan-2-yl)oxy]pyrimidin-4-amine
Database identifiers
- CAS
284681-56-7- PubChem CID
- 478097
- DTXSID
DTXSID80951122- Nikkaji
- J1.320.170F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 294
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Compound notes
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