1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H12FN3O5S — CID 168714161

IUPAC1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1cc(N2CC(S(=O)(=O)F)CC2=O)nc(OC)n1
InChIInChI=1S/C10H12FN3O5S/c1-18-8-4-7(12-10(13-8)19-2)14-5-6(3-9(14)15)20(11,16)17/h4,6H,3,5H2,1-2H3
InChIKeyMCISCOIFFGGLGN-UHFFFAOYSA-N
MW305.29 g/mol
LogP-0.10
Rot. Bonds4

About 1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714161) has the molecular formula C10H12FN3O5S and a molecular weight of 305.29 g/mol. Its IUPAC name is 1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714161
Molecular FormulaC10H12FN3O5S
Molecular Weight305.29 g/mol
Exact Mass305.05
IUPAC Name1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1cc(N2CC(S(=O)(=O)F)CC2=O)nc(OC)n1
InChIInChI=1S/C10H12FN3O5S/c1-18-8-4-7(12-10(13-8)19-2)14-5-6(3-9(14)15)20(11,16)17/h4,6H,3,5H2,1-2H3
InChIKeyMCISCOIFFGGLGN-UHFFFAOYSA-N
XLogP-0.10
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 5-0.10
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-(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-(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-(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-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714161) is 1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is COc1cc(N2CC(S(=O)(=O)F)CC2=O)nc(OC)n1.
What is the InChIKey of 1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is MCISCOIFFGGLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O5S/c1-18-8-4-7(12-10(13-8)19-2)14-5-6(3-9(14)15)20(11,16)17/h4,6H,3,5H2,1-2H3.
What are the key properties of 1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 305.29 g/mol, XLogP of -0.10, 4 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-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).