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

C8H9FN4O4S — CID 168715839

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNc1c(N2CC(S(=O)(=O)F)CC2=O)nc[nH]c1=O
InChIInChI=1S/C8H9FN4O4S/c9-18(16,17)4-1-5(14)13(2-4)7-6(10)8(15)12-3-11-7/h3-4H,1-2,10H2,(H,11,12,15)
InChIKeyWOBLLYDRGVJCCC-UHFFFAOYSA-N
MW276.25 g/mol
LogP-1.24
Rot. Bonds2

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

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715839) has the molecular formula C8H9FN4O4S and a molecular weight of 276.25 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715839
Molecular FormulaC8H9FN4O4S
Molecular Weight276.25 g/mol
Exact Mass276.03
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNc1c(N2CC(S(=O)(=O)F)CC2=O)nc[nH]c1=O
InChIInChI=1S/C8H9FN4O4S/c9-18(16,17)4-1-5(14)13(2-4)7-6(10)8(15)12-3-11-7/h3-4H,1-2,10H2,(H,11,12,15)
InChIKeyWOBLLYDRGVJCCC-UHFFFAOYSA-N
XLogP-1.24
TPSA126.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716295
5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 168686244
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714641
1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715947
5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716301
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 168716292
1-(3-bromo-5-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715138
1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715376
1-(4,5-diamino-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716158
1-(4-bromo-6-chloropyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715793
1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715776
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715550

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715839) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is Nc1c(N2CC(S(=O)(=O)F)CC2=O)nc[nH]c1=O.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is WOBLLYDRGVJCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O4S/c9-18(16,17)4-1-5(14)13(2-4)7-6(10)8(15)12-3-11-7/h3-4H,1-2,10H2,(H,11,12,15).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 276.25 g/mol, XLogP of -1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).