[1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C11H14FN3O5S — CID 168675757

IUPAC[1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1cc(N2CC(CS(=O)(=O)F)CC2=O)nc(OC)n1
InChIInChI=1S/C11H14FN3O5S/c1-19-9-4-8(13-11(14-9)20-2)15-5-7(3-10(15)16)6-21(12,17)18/h4,7H,3,5-6H2,1-2H3
InChIKeyYXGQENCHRGPHIF-UHFFFAOYSA-N
MW319.31 g/mol
LogP0.15
Rot. Bonds5

About [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675757) has the molecular formula C11H14FN3O5S and a molecular weight of 319.31 g/mol. Its IUPAC name is [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675757
Molecular FormulaC11H14FN3O5S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC Name[1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1cc(N2CC(CS(=O)(=O)F)CC2=O)nc(OC)n1
InChIInChI=1S/C11H14FN3O5S/c1-19-9-4-8(13-11(14-9)20-2)15-5-7(3-10(15)16)6-21(12,17)18/h4,7H,3,5-6H2,1-2H3
InChIKeyYXGQENCHRGPHIF-UHFFFAOYSA-N
XLogP0.15
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(4-Chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675748
[1-(4,6-Dimethoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675762
[1-(4-Amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675782
[1-(2-Amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675783
[1-(4-Methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675785
[1-(6-Methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675792
[1-(4-Methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676156
1-(4-Chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714152
1-(2,6-Dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714161
1-(4,6-Dimethoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714166
1-(4-Amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714186
1-(2-Amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714187

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675757) is [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is COc1cc(N2CC(CS(=O)(=O)F)CC2=O)nc(OC)n1.
What is the InChIKey of [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is YXGQENCHRGPHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O5S/c1-19-9-4-8(13-11(14-9)20-2)15-5-7(3-10(15)16)6-21(12,17)18/h4,7H,3,5-6H2,1-2H3.
What are the key properties of [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 319.31 g/mol, XLogP of 0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).