1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C9H10FN3O4S — CID 168714559

IUPAC1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1cc(=O)[nH]c(N2CC(S(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C9H10FN3O4S/c1-5-2-7(14)12-9(11-5)13-4-6(3-8(13)15)18(10,16)17/h2,6H,3-4H2,1H3,(H,11,12,14)
InChIKeyKEASWPGPWKNGNV-UHFFFAOYSA-N
MW275.26 g/mol
LogP-0.52
Rot. Bonds2

About 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714559) has the molecular formula C9H10FN3O4S and a molecular weight of 275.26 g/mol. Its IUPAC name is 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714559
Molecular FormulaC9H10FN3O4S
Molecular Weight275.26 g/mol
Exact Mass275.04
IUPAC Name1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1cc(=O)[nH]c(N2CC(S(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C9H10FN3O4S/c1-5-2-7(14)12-9(11-5)13-4-6(3-8(13)15)18(10,16)17/h2,6H,3-4H2,1H3,(H,11,12,14)
InChIKeyKEASWPGPWKNGNV-UHFFFAOYSA-N
XLogP-0.52
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-0.52
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-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714559) is 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is Cc1cc(=O)[nH]c(N2CC(S(=O)(=O)F)CC2=O)n1.
What is the InChIKey of 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is KEASWPGPWKNGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O4S/c1-5-2-7(14)12-9(11-5)13-4-6(3-8(13)15)18(10,16)17/h2,6H,3-4H2,1H3,(H,11,12,14).
What are the key properties of 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 275.26 g/mol, XLogP of -0.52, 2 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-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).