Basic information
- CAS
63743-50-0- Standard SMILES
CNCc1nc2sc3c(c2c(=O)[nH]1)CCCC3- InChIKey
OSWPWNLULQWKAH-UHFFFAOYSA-N- Molecular formula
- C12H15N3OS
- Average molar mass
- 249.33 g/mol
- Monoisotopic mass
- 249.09358328
Names & identifiers
- Preferred name
- 2-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- IUPAC
- 2-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Names & synonyms
NSC30550963743-50-0DTXSID70316665AKOS000279235NSC-3055092-[(Methylamino)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
63743-50-0- PubChem CID
- 328073
- DTXSID
DTXSID70316665
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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