tert-Butyl 4-(6-ethoxy-2-(methylthio)pyrimidin-4-yl)piperazine-1-carboxylate
Basic information
- CAS
1353989-90-8- Standard SMILES
CCOc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(SC)n1- InChIKey
BUJYIOUNPVQVCF-UHFFFAOYSA-N- Molecular formula
- C16H26N4O3S
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.17256188
Names & identifiers
- Preferred name
- tert-Butyl 4-(6-ethoxy-2-(methylthio)pyrimidin-4-yl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(6-ethoxy-2-methylsulfanylpyrimidin-4-yl)piperazine-1-carboxylate
- English name
- 4-(6-Ethoxy-2-Methylsulfanyl-pyriMidin-4-yl)-piperazine-1-carboxylic acid tert-butyl ester
- Molecular formula
- C16H26N4O3S
- Molecular weight
- 354.47
Names & synonyms
1353989-90-8tert-Butyl 4-(6-ethoxy-2-(methylthio)pyrimidin-4-yl)piperazine-1-carboxylatetert-butyl 4-(6-ethoxy-2-methylsulfanylpyrimidin-4-yl)piperazine-1-carboxylate4-(6-Ethoxy-2-methylsulfanyl-pyrimidin-4-yl)-piperazine-1-carboxylic acid tert-butyl esterTERT-BUTYL 4-[6-ETHOXY-2-(METHYLSULFANYL)PYRIMIDIN-4-YL]PIPERAZINE-1-CARBOXYLATEDTXSID701116582AKOS024463474DB-218444G68458tert-butyl 4-(6-ethoxy-2-methylsulfanyl-pyrimidin-4-yl)piperazine-1-carboxylatetert-Butyl4-(6-ethoxy-2-(methylthio)pyrimidin-4-yl)piperazine-1-carboxylate1-Piperazinecarboxylic acid, 4-[6-ethoxy-2-(methylthio)-4-pyrimidinyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1353989-90-8- PubChem CID
- 66569860
- DTXSID
DTXSID701116582
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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