Ethyl 4-amino-2-(chloromethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Basic information
- CAS
877964-65-3- Standard SMILES
CCOC(=O)c1sc2nc(CCl)nc(N)c2c1C- InChIKey
LMBQENNTVROIAI-UHFFFAOYSA-N- Molecular formula
- C11H12ClN3O2S
- Average molar mass
- 285.75 g/mol
- Monoisotopic mass
- 285.0338755
Names & identifiers
- Preferred name
- Ethyl 4-amino-2-(chloromethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
- IUPAC
- ethyl 4-amino-2-(chloromethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Names & synonyms
877964-65-3ethyl 4-amino-2-(chloromethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylateethyl 2-(chloromethyl)-4-imino-5-methyl-1H,4H-thieno[2,3-d]pyrimidine-6-carboxylateAKOS000263219EN300-24032G31832Z169512064ethyl4-amino-2-(chloromethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Database identifiers
- CAS
877964-65-3- PubChem CID
- 9115293
- EC Number
- 154-851-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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