2-Pyrrolidinone, 1-[3-[[4-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]amino]propyl]-
Basic information
- CAS
1353190-11-0- Standard SMILES
CNc1nc(NCCCN2CCCC2=O)ncc1B1OC(C)(C)C(C)(C)O1- InChIKey
SXHDWTCFWAWSRZ-UHFFFAOYSA-N- Molecular formula
- C18H30BN5O3
- Average molar mass
- 375.3 g/mol
- Monoisotopic mass
- 375.24417
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 1-[3-[[4-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]amino]propyl]-
- IUPAC
- 1-[3-[[4-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
Names & synonyms
DTXSID1011063071353190-11-02-Pyrrolidinone, 1-[3-[[4-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]amino]propyl]-
Database identifiers
- CAS
1353190-11-0- PubChem CID
- 165367196
- DTXSID
DTXSID101106307
Properties
Computed structural properties
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 517
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Related reactions
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Compound notes
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