2-Methylpropyl 4-[bis(2-hydroxyethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Basic information
- CAS
1082159-78-1- Standard SMILES
Cc1c(C(=O)OCC(C)C)sc2ncnc(N(CCO)CCO)c12- InChIKey
ICQNYOQDLWKBPB-UHFFFAOYSA-N- Molecular formula
- C16H23N3O4S
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.1409274
Names & identifiers
- Preferred name
- 2-Methylpropyl 4-[bis(2-hydroxyethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
- IUPAC
- 2-methylpropyl 4-[bis(2-hydroxyethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Names & synonyms
DTXSID3011228581082159-78-12-Methylpropyl 4-[bis(2-hydroxyethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Database identifiers
- CAS
1082159-78-1- PubChem CID
- 28848801
- DTXSID
DTXSID301122858
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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