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

C11H14FN3O5S — CID 168675762

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

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

[1-(4,6-dimethoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675762) has the molecular formula C11H14FN3O5S and a molecular weight of 319.31 g/mol. Its IUPAC name is [1-(4,6-dimethoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(4,6-dimethoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675762
Molecular FormulaC11H14FN3O5S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC Name[1-(4,6-dimethoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1cc(OC)nc(N2CC(CS(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C11H14FN3O5S/c1-19-8-4-9(20-2)14-11(13-8)15-5-7(3-10(15)16)6-21(12,17)18/h4,7H,3,5-6H2,1-2H3
InChIKeyUKYRRTNWYKOCLU-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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Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimethoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(4,6-dimethoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675762) is [1-(4,6-dimethoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(4,6-dimethoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(4,6-dimethoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is COc1cc(OC)nc(N2CC(CS(=O)(=O)F)CC2=O)n1.
What is the InChIKey of [1-(4,6-dimethoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is UKYRRTNWYKOCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O5S/c1-19-8-4-9(20-2)14-11(13-8)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-(4,6-dimethoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(4,6-dimethoxypyrimidin-2-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-(4,6-dimethoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).