[1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C9H12N4O5S — CID 168682343

IUPAC[1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2c(O)nc[nH]c2=O)C1
InChIInChI=1S/C9H12N4O5S/c10-19(17,18)3-5-1-6(14)13(2-5)7-8(15)11-4-12-9(7)16/h4-5H,1-3H2,(H2,10,17,18)(H2,11,12,15,16)
InChIKeyWXJLKXIXBSZPKP-UHFFFAOYSA-N
MW288.28 g/mol
LogP-1.88
Rot. Bonds3

About [1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682343) has the molecular formula C9H12N4O5S and a molecular weight of 288.28 g/mol. Its IUPAC name is [1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682343
Molecular FormulaC9H12N4O5S
Molecular Weight288.28 g/mol
Exact Mass288.05
IUPAC Name[1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2c(O)nc[nH]c2=O)C1
InChIInChI=1S/C9H12N4O5S/c10-19(17,18)3-5-1-6(14)13(2-5)7-8(15)11-4-12-9(7)16/h4-5H,1-3H2,(H2,10,17,18)(H2,11,12,15,16)
InChIKeyWXJLKXIXBSZPKP-UHFFFAOYSA-N
XLogP-1.88
TPSA146.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683385
4-amino-5-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168671926
[1-(5-bromo-3-hydroxy-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682336
[1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682216
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(4,6-diamino-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683300
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682499
[1-(5-chloro-2-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682419
[1-(6-amino-2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681412
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682343) is [1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2c(O)nc[nH]c2=O)C1.
What is the InChIKey of [1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is WXJLKXIXBSZPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O5S/c10-19(17,18)3-5-1-6(14)13(2-5)7-8(15)11-4-12-9(7)16/h4-5H,1-3H2,(H2,10,17,18)(H2,11,12,15,16).
What are the key properties of [1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 288.28 g/mol, XLogP of -1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).