N-[2-(Methanesulfonyl)phenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
Basic information
- CAS
917907-42-7- Standard SMILES
Cc1csc2ncnc(Nc3ccccc3S(C)(=O)=O)c12- InChIKey
RONKCXCZCNPTTD-UHFFFAOYSA-N- Molecular formula
- C14H13N3O2S2
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.04491901
Names & identifiers
- Preferred name
- N-[2-(Methanesulfonyl)phenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
- IUPAC
- 5-methyl-N-(2-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine
Names & synonyms
917907-42-7N-[2-(Methanesulfonyl)phenyl]-5-methylthieno[2,3-d]pyrimidin-4-amineSCHEMBL3801674DTXSID10580868RONKCXCZCNPTTD-UHFFFAOYSA-N(2-Methanesulfonyl-phenyl)-(5-methyl-thieno[2,3-d]pyrimidin-4-yl)-amine
Database identifiers
- CAS
917907-42-7- PubChem CID
- 15985288
- DTXSID
DTXSID10580868
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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