5,6,7,8-Tetrahydro-4-(1-piperazinyl)(1)benzothieno(2,3-d)pyrimidine
Basic information
- CAS
245449-99-4- Standard SMILES
c1nc(N2CCNCC2)c2c3c(sc2n1)CCCC3- InChIKey
BSHUTAUVQRSTAN-UHFFFAOYSA-N- Molecular formula
- C14H18N4S
- Average molar mass
- 274.39 g/mol
- Monoisotopic mass
- 274.12521776
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydro-4-(1-piperazinyl)(1)benzothieno(2,3-d)pyrimidine
- IUPAC
- 4-piperazin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Names & synonyms
245449-99-45,6,7,8-Tetrahydro-4-(1-piperazinyl)[1]benzothieno[2,3-d]pyrimidine5,6,7,8-Tetrahydro-4-(1-piperazinyl)(1)benzothieno(2,3-d)pyrimidineRefChem:2984784-(Piperazin-1-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidineOprea1_601305SCHEMBL7661912CHEMBL3696168BDBM152215DTXSID5011611934-piperazin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidineAKOS000796429
Show more names
EBC-611375ST50336373US8993552, 9Z23681797444-piperazinyl-5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]pyrimidine4-(Piperazin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine3-(piperazin-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene
Database identifiers
- CAS
245449-99-4- PubChem CID
- 4304615
- DTXSID
DTXSID501161193- ChEMBL
CHEMBL3696168
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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