Basic information
- CAS
1353989-79-3- Standard SMILES
CSc1nc(NC2CC2)cc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1- InChIKey
AZFYJGIWSVCDCL-UHFFFAOYSA-N- Molecular formula
- C18H29N5O2S
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.20419636
Names & identifiers
- Preferred name
- tert-Butyl 4-((6-(cyclopropylamino)-2-(methylthio)pyrimidin-4-yl)amino)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[[6-(cyclopropylamino)-2-methylsulfanylpyrimidin-4-yl]amino]piperidine-1-carboxylate
- English name
- 4-(6-CyclopropylaMino-2-Methylsulfanyl-pyriMidin-4-ylaMino)-piperidine-1-carboxylic acid tert-butyl ester
- Molecular formula
- C18H29N5O2S
- Molecular weight
- 379.52
Names & synonyms
1353989-79-3tert-Butyl 4-((6-(cyclopropylamino)-2-(methylthio)pyrimidin-4-yl)amino)piperidine-1-carboxylate4-(6-Cyclopropylamino-2-methylsulfanyl-pyrimidin-4-ylamino)-piperidine-1-carboxylic acid tert-butyl estertert-butyl 4-[[6-(cyclopropylamino)-2-methylsulfanylpyrimidin-4-yl]amino]piperidine-1-carboxylateC18H29N5O2SDTXSID001106778AKOS024463035DB-218435G676661-Piperidinecarboxylic acid, 4-[[6-(cyclopropylamino)-2-(methylthio)-4-pyrimidinyl]amino]-, 1,1-dimethylethyl estertert-butyl 4-[[6-(cyclopropylamino)-2-methylsulfanyl-pyrimidin-4-yl]amino]piperidine-1-carboxylatetert-Butyl4-((6-(cyclopropylamino)-2-(methylthio)pyrimidin-4-yl)amino)piperidine-1-carboxylate
Database identifiers
- CAS
1353989-79-3- PubChem CID
- 66569745
- DTXSID
DTXSID001106778
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 475
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
Chemistry & industry
Suppliers7 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
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]
济南思考化学有限公司0531-0000 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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