5,6,7,8-Tetrahydro-4-(4-morpholinyl)[1]benzothieno[2,3-d]pyrimidine
Basic information
- CAS
40106-46-5- Standard SMILES
c1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3- InChIKey
YZMBSTGTZZZUEY-UHFFFAOYSA-N- Molecular formula
- C14H17N3OS
- Average molar mass
- 275.37 g/mol
- Monoisotopic mass
- 275.10923335
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydro-4-(4-morpholinyl)[1]benzothieno[2,3-d]pyrimidine
- IUPAC
- 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine
Names & synonyms
40106-46-55,6,7,8-Tetrahydro-4-(4-morpholinyl)[1]benzothieno[2,3-d]pyrimidine5,6,7,8-Tetrahydro-4-(4-morpholinyl)(1)benzothieno(2,3-d)pyrimidineRefChem:2984794-(4-morpholinyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine4-(morpholin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidineSMR0000690274-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholineCambridge id 5137560Oprea1_183138Oprea1_188351MLS000058761
Show more names
CHEMBL1416445DTXSID601161439HMS2399F19NSC737133STK279870AKOS000541270CCG-103897NSC-737133
Database identifiers
- CAS
40106-46-5- PubChem CID
- 722483
- DTXSID
DTXSID601161439- ChEMBL
CHEMBL1416445
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
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Related reactions
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Compound notes
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