[1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C11H16N4O5S — CID 168681244

IUPAC[1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCOc1cc(N2CC(CS(N)(=O)=O)CC2=O)nc(OC)n1
InChIInChI=1S/C11H16N4O5S/c1-19-9-4-8(13-11(14-9)20-2)15-5-7(3-10(15)16)6-21(12,17)18/h4,7H,3,5-6H2,1-2H3,(H2,12,17,18)
InChIKeyONHGSHDITFCWSF-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.86
Rot. Bonds5

About [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681244) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681244
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name[1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCOc1cc(N2CC(CS(N)(=O)=O)CC2=O)nc(OC)n1
InChIInChI=1S/C11H16N4O5S/c1-19-9-4-8(13-11(14-9)20-2)15-5-7(3-10(15)16)6-21(12,17)18/h4,7H,3,5-6H2,1-2H3,(H2,12,17,18)
InChIKeyONHGSHDITFCWSF-UHFFFAOYSA-N
XLogP-0.86
TPSA124.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(6-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681589
[1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681636
[1-(5-bromo-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681534
[1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683032
[1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681236
[1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682382
[1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681216
[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683033
[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681741
[1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673095
methyl 5-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 168681086
[1-(4,6-diamino-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683300

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681244) is [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is COc1cc(N2CC(CS(N)(=O)=O)CC2=O)nc(OC)n1.
What is the InChIKey of [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is ONHGSHDITFCWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-19-9-4-8(13-11(14-9)20-2)15-5-7(3-10(15)16)6-21(12,17)18/h4,7H,3,5-6H2,1-2H3,(H2,12,17,18).
What are the key properties of [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 316.34 g/mol, XLogP of -0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).