Basic information
- CAS
1354020-91-9- Standard SMILES
CCOc1cc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ncn1- InChIKey
WLTVDSYFDQNMGF-LLVKDONJSA-N- Molecular formula
- C15H24N4O3
- Average molar mass
- 308.38 g/mol
- Monoisotopic mass
- 308.18484064
Names & identifiers
- Preferred name
- (R)-tert-Butyl 3-((6-ethoxypyrimidin-4-yl)amino)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (3R)-3-[(6-ethoxypyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
- English name
- (R)-3-(6-Ethoxy-pyriMidin-4-ylaMino)-pyrrolidine-1-carboxylic acid tert-butyl ester
- Molecular formula
- C15H24N4O3
- Molecular weight
- 308.38
Names & synonyms
1354020-91-9(R)-tert-Butyl 3-((6-ethoxypyrimidin-4-yl)amino)pyrrolidine-1-carboxylate(R)-3-(6-Ethoxy-pyrimidin-4-ylamino)-pyrrolidine-1-carboxylic acid tert-butyl esterTERT-BUTYL (3R)-3-[(6-ETHOXYPYRIMIDIN-4-YL)AMINO]PYRROLIDINE-1-CARBOXYLATEDTXSID901116588AKOS025117372DB-247399G64273F089021(R)-tert-Butyl3-((6-ethoxypyrimidin-4-yl)amino)pyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-[(6-ethoxy-4-pyrimidinyl)amino]-, 1,1-dimethylethyl ester, (3R)-
Database identifiers
- CAS
1354020-91-9- PubChem CID
- 66569751
- DTXSID
DTXSID901116588
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
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
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Suppliers5 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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