[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H12FN3O4S — CID 168676155

IUPAC[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1cc(=O)[nH]c(N2CC(CS(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H12FN3O4S/c1-6-2-8(15)13-10(12-6)14-4-7(3-9(14)16)5-19(11,17)18/h2,7H,3-5H2,1H3,(H,12,13,15)
InChIKeyDBYAXOBIKLKUBH-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.27
Rot. Bonds3

About [1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676155) has the molecular formula C10H12FN3O4S and a molecular weight of 289.29 g/mol. Its IUPAC name is [1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676155
Molecular FormulaC10H12FN3O4S
Molecular Weight289.29 g/mol
Exact Mass289.05
IUPAC Name[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1cc(=O)[nH]c(N2CC(CS(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H12FN3O4S/c1-6-2-8(15)13-10(12-6)14-4-7(3-9(14)16)5-19(11,17)18/h2,7H,3-5H2,1H3,(H,12,13,15)
InChIKeyDBYAXOBIKLKUBH-UHFFFAOYSA-N
XLogP-0.27
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676155) is [1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cc1cc(=O)[nH]c(N2CC(CS(=O)(=O)F)CC2=O)n1.
What is the InChIKey of [1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is DBYAXOBIKLKUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O4S/c1-6-2-8(15)13-10(12-6)14-4-7(3-9(14)16)5-19(11,17)18/h2,7H,3-5H2,1H3,(H,12,13,15).
What are the key properties of [1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 289.29 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).