[1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C₁₀H₁₂FN₃O₄S — CID 168675780

About [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675780) has the molecular formula C₁₀H₁₂FN₃O₄S and a molecular weight of 289.29 g/mol. Its IUPAC name is [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

• Compound Name: [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
• PubChem CID: 168675780
• Molecular Formula: C₁₀H₁₂FN₃O₄S
• Molecular Weight: 289.29 g/mol
• Exact Mass: 289.05
• IUPAC Name: [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
• SMILES: COc1nccc(N2CC(CS(=O)(=O)F)CC2=O)n1
• InChI: InChI=1S/C10H12FN3O4S/c1-18-10-12-3-2-8(13-10)14-5-7(4-9(14)15)6-19(11,16)17/h2-3,7H,4-6H2,1H3
• InChIKey: XUCSGMRYQVKXAL-UHFFFAOYSA-N
• XLogP: 0.14
• TPSA: 89.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.29
LogP ≤ 5	0.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?

The IUPAC name of [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675780) is [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

What is the SMILES notation for [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?

The canonical SMILES for [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is COc1nccc(N2CC(CS(=O)(=O)F)CC2=O)n1.

What is the InChIKey of [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?

The InChIKey is XUCSGMRYQVKXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O4S/c1-18-10-12-3-2-8(13-10)14-5-7(4-9(14)15)6-19(11,16)17/h2-3,7H,4-6H2,1H3.

What are the key properties of [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?

[1-(2-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-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168675780 — identifiers, structure, computed properties (public domain)

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