Basic information
- CAS
153901-71-4- Standard SMILES
CCOC(Cn1ncc2c(N)nc(SC)nc21)OCC- InChIKey
OSMOVIPWSMFZII-UHFFFAOYSA-N- Molecular formula
- C12H19N5O2S
- Average molar mass
- 297.38 g/mol
- Monoisotopic mass
- 297.12594604
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-Amino-6-methylthio-1-(2',2'-diethoxyethyl)-1H-pyrazolo(3,4-d)pyrimidine
- IUPAC
- 1-(2,2-diethoxyethyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
- English name
- 4-amino-6-methylthio-1-(2',2'-diethoxyethyl)-1H-pyrazolo(3,4-d)pyrimidine
- Molecular formula
- C12H19N5O2S
- Molecular weight
- 297.38
Names & synonyms
153901-71-44-Amino-6-methylthio-1-(2',2'-diethoxyethyl)-1H-pyrazolo(3,4-d)pyrimidineDTXSID301654944-amino-6-methylthio-1-(2',2'-diethoxyethyl)-1h-pyrazolo[3,4-d]pyrimidineRefChem:97806DTXCID60879851-(2,2-diethoxyethyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amineCompound 88-7651-(2,2-Diethoxyethyl)-6-(methylthio)-1H-pyrazolo(3,4-d)pyrimidin-4-amine4-Amino-1-(2',2'-diethoxyethyl)-6-methylthio-1H-pyrazolo(3,4-d)pyrimidine1H-Pyrazolo(3,4-d)pyrimidin-4-amine, 1-(2,2-diethoxyethyl)-6-(methylthio)-1-(2,2-diethoxyethyl)-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Show more names
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(2,2-diethoxyethyl)-6-(methylthio)-
Database identifiers
- CAS
153901-71-4- PubChem CID
- 197350
- DTXSID
DTXSID30165494- Nikkaji
- J563.252H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 502.5 · 502.5±60.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 3.61 · 3.61±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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