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

C10H11ClFN3O4S — CID 168673130

IUPAC[1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCOc1ncc(F)c(N2CC(CS(=O)(=O)Cl)CC2=O)n1
InChIInChI=1S/C10H11ClFN3O4S/c1-19-10-13-3-7(12)9(14-10)15-4-6(2-8(15)16)5-20(11,17)18/h3,6H,2,4-5H2,1H3
InChIKeyCGJTXLVCWLVNIV-UHFFFAOYSA-N
MW323.73 g/mol
LogP0.55
Rot. Bonds4

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

[1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673130) has the molecular formula C10H11ClFN3O4S and a molecular weight of 323.73 g/mol. Its IUPAC name is [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673130
Molecular FormulaC10H11ClFN3O4S
Molecular Weight323.73 g/mol
Exact Mass323.01
IUPAC Name[1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCOc1ncc(F)c(N2CC(CS(=O)(=O)Cl)CC2=O)n1
InChIInChI=1S/C10H11ClFN3O4S/c1-19-10-13-3-7(12)9(14-10)15-4-6(2-8(15)16)5-20(11,17)18/h3,6H,2,4-5H2,1H3
InChIKeyCGJTXLVCWLVNIV-UHFFFAOYSA-N
XLogP0.55
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Chloro-5-fluoro-4-pyrimidinyl)-3,3-dimethyl-2-pyrrolidinone
CID 117840806
4-Ethynyl-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
CID 168500896
4-(Bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
CID 168504217
4-(Chloromethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
CID 168507538
4-(Azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
CID 168656483
4-(Aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
CID 168659628
S-[[1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666886
S-[[1-(2-chloro-5-fluoropyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668489
1-(5-Fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670215
1-(2-Chloro-5-fluoropyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671818
[1-(2-Chloro-5-fluoropyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674228
[1-(6-Chloro-5-fluoropyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674277

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168673130) is [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is COc1ncc(F)c(N2CC(CS(=O)(=O)Cl)CC2=O)n1.
What is the InChIKey of [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is CGJTXLVCWLVNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O4S/c1-19-10-13-3-7(12)9(14-10)15-4-6(2-8(15)16)5-20(11,17)18/h3,6H,2,4-5H2,1H3.
What are the key properties of [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 323.73 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).