2-(2-chloroethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Basic information
- CAS
887580-61-2- Standard SMILES
Cc1sc2nc(CCCl)[nH]c(=O)c2c1C- InChIKey
PDXSYBSPRMAXDS-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2OS
- Average molar mass
- 242.73 g/mol
Names & identifiers
- Preferred name
- 2-(2-chloroethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 2-(2-chloroethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
- English name
- 2-(2-Chloroethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C10H11ClN2OS
- Molecular weight
- 242.73
Names & synonyms
2-(2-chloroethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one887580-61-22-(2-chloroethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-oneSBB099638AR-434/428045432-(2-chloroethyl)-5,6-dimethyl-3-hydrothiopheno[2,3-d]pyrimidin-4-one
Database identifiers
- CAS
887580-61-2
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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