Thieno[2,3-d]pyrimidine, 34e
Basic information
- CAS
847559-81-3- Standard SMILES
CCNC(=O)c1cc2c(-c3cc(OCCN(C)C)c(Cl)cc3Cl)nc(N)nc2s1- InChIKey
FFCLCTHAQCJCLU-UHFFFAOYSA-N- Molecular formula
- C19H21Cl2N5O2S
- Average molar mass
- 454.4 g/mol
- Monoisotopic mass
- 453.0793015
Names & identifiers
- Preferred name
- Thieno[2,3-d]pyrimidine, 34e
- IUPAC
- 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
Names & synonyms
2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide2-Amino-4-{2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamideCHEMBL549817SCHEMBL13110166BDBM33238thieno[2,3-d]pyrimidine, 34eDTXSID101111710847559-81-3
Database identifiers
- CAS
847559-81-3- PubChem CID
- 25210274
- DTXSID
DTXSID101111710- ChEMBL
CHEMBL549817
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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