6-(Methylsulfonyl)-N-(2-phenylethyl)-1-tetrahydro-2H-pyran-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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Basic information
- Standard SMILES
CS(=O)(=O)c1nc(NCCc2ccccc2)c2cnn(C3CCCCO3)c2n1- InChIKey
XTPJFENNTYBSAT-UHFFFAOYSA-N- Molecular formula
- C19H23N5O3S
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.15216079
Names & identifiers
- Preferred name
- 6-(Methylsulfonyl)-N-(2-phenylethyl)-1-tetrahydro-2H-pyran-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 6-methylsulfonyl-1-(oxan-2-yl)-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
NSC619118NSC-6191186-(Methylsulfonyl)-N-(2-phenylethyl)-1-tetrahydro-2H-pyran-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine6-methylsulfonyl-N-phenethyl-1-tetrahydropyran-2-yl-pyrazolo[3,4-d]pyrimidin-4-amineN-(6-(Methylsulfonyl)-1-tetrahydro-2H-pyran-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(2-phenylethyl)amine
Database identifiers
- PubChem CID
- 358951
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 607
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Compound notes
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