[1-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H12FN3O4S — CID 168675792

IUPAC[1-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1cc(N2CC(CS(=O)(=O)F)CC2=O)ncn1
InChIInChI=1S/C10H12FN3O4S/c1-18-9-3-8(12-6-13-9)14-4-7(2-10(14)15)5-19(11,16)17/h3,6-7H,2,4-5H2,1H3
InChIKeyURYORQYNENOMIM-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.14
Rot. Bonds4

About [1-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675792) has the molecular formula C10H12FN3O4S and a molecular weight of 289.29 g/mol. Its IUPAC name is [1-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675792
Molecular FormulaC10H12FN3O4S
Molecular Weight289.29 g/mol
Exact Mass289.05
IUPAC Name[1-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1cc(N2CC(CS(=O)(=O)F)CC2=O)ncn1
InChIInChI=1S/C10H12FN3O4S/c1-18-9-3-8(12-6-13-9)14-4-7(2-10(14)15)5-19(11,16)17/h3,6-7H,2,4-5H2,1H3
InChIKeyURYORQYNENOMIM-UHFFFAOYSA-N
XLogP0.14
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-Chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675748
[1-(2,6-Dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675757
[1-(4,6-Dimethoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675762
[1-(2-Methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675780
[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-(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-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675792) is [1-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is COc1cc(N2CC(CS(=O)(=O)F)CC2=O)ncn1.
What is the InChIKey of [1-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is URYORQYNENOMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O4S/c1-18-9-3-8(12-6-13-9)14-4-7(2-10(14)15)5-19(11,16)17/h3,6-7H,2,4-5H2,1H3.
What are the key properties of [1-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 289.29 g/mol, XLogP of 0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).