[1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C11H14FN3O4S — CID 168676156

IUPAC[1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1cc(C)nc(N2CC(CS(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C11H14FN3O4S/c1-7-3-9(19-2)14-11(13-7)15-5-8(4-10(15)16)6-20(12,17)18/h3,8H,4-6H2,1-2H3
InChIKeyALQLCVBELSQXGJ-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.45
Rot. Bonds4

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

[1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676156) has the molecular formula C11H14FN3O4S and a molecular weight of 303.31 g/mol. Its IUPAC name is [1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676156
Molecular FormulaC11H14FN3O4S
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name[1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1cc(C)nc(N2CC(CS(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C11H14FN3O4S/c1-7-3-9(19-2)14-11(13-7)15-5-8(4-10(15)16)6-20(12,17)18/h3,8H,4-6H2,1-2H3
InChIKeyALQLCVBELSQXGJ-UHFFFAOYSA-N
XLogP0.45
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676156) is [1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is COc1cc(C)nc(N2CC(CS(=O)(=O)F)CC2=O)n1.
What is the InChIKey of [1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is ALQLCVBELSQXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4S/c1-7-3-9(19-2)14-11(13-7)15-5-8(4-10(15)16)6-20(12,17)18/h3,8H,4-6H2,1-2H3.
What are the key properties of [1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 303.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).