N-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)methanesulfonamide
PubChem CID
46739656
Structure
Molecular Formula
Synonyms
- 1218789-36-6
- N-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)methanesulfonamide
- 2-(Methylsulfonylamino)pyrimidine-5-boronic acid, pinacol ester
- N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]methanesulfonamide
- (2-(METHYLSULFONAMIDO)PYRIMIDIN-5-YL)BORONIC ACID PINACOL ESTER
Molecular Weight
299.16 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2010-07-26
- Modify:2025-01-04
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]methanesulfonamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H18BN3O4S/c1-10(2)11(3,4)19-12(18-10)8-6-13-9(14-7-8)15-20(5,16)17/h6-7H,1-5H3,(H,13,14,15)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
YZKTWEGVBYAEQG-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)NS(=O)(=O)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H18BN3O4S
Computed by PubChem 2.2 (PubChem release 2021.10.14)
1218789-36-6
- 1218789-36-6
- N-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)methanesulfonamide
- 2-(Methylsulfonylamino)pyrimidine-5-boronic acid, pinacol ester
- N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]methanesulfonamide
- (2-(METHYLSULFONAMIDO)PYRIMIDIN-5-YL)BORONIC ACID PINACOL ESTER
- Methanesulfonamide, N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-
- MFCD12546566
- DTXSID70675249
- 2-(Methylsulfonylamino)pyrimidine-5-boronic acid,pinacol ester
- AKOS016001051
- SB60683
- AS-49898
- DB-418398
- CS-0175721
- O10028
- 2-(Methylsulfonylamino)pyrimidine-5-boronic acid pinacol ester
- N-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]methanesulfonamide
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
299.16 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
299.1111074 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
299.1111074 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
98.8Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
20
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
439
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=YZKTWEGVBYAEQG-UHFFFAOYSA-N
- EPA DSSToxN-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]methanesulfonamidehttps://comptox.epa.gov/dashboard/DTXSID70675249
- WikidataN-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]methanesulfonamidehttps://www.wikidata.org/wiki/Q82597553
- PubChem
- PATENTSCOPE (WIPO)SID 397222849https://pubchem.ncbi.nlm.nih.gov/substance/397222849
CONTENTS