[1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C11H16N4O4S — CID 168681735

IUPAC[1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1ncc(CO)c(N2CC(CS(N)(=O)=O)CC2=O)n1
InChIInChI=1S/C11H16N4O4S/c1-7-13-3-9(5-16)11(14-7)15-4-8(2-10(15)17)6-20(12,18)19/h3,8,16H,2,4-6H2,1H3,(H2,12,18,19)
InChIKeyNYLXGJHYLITSKJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP-1.08
Rot. Bonds4

About [1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681735) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is [1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681735
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name[1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1ncc(CO)c(N2CC(CS(N)(=O)=O)CC2=O)n1
InChIInChI=1S/C11H16N4O4S/c1-7-13-3-9(5-16)11(14-7)15-4-8(2-10(15)17)6-20(12,18)19/h3,8,16H,2,4-6H2,1H3,(H2,12,18,19)
InChIKeyNYLXGJHYLITSKJ-UHFFFAOYSA-N
XLogP-1.08
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714652
4-(azidomethyl)-1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]pyrrolidin-2-one
CID 168656998
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
[1-(5-bromo-3-hydroxy-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682336
[1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681619
[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681565
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682854
[1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682857
[1-(5-cyano-2-methylpyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676055
ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate
CID 168680845
[1-(6-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681589
[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681741

Frequently Asked Questions

What is the IUPAC name of [1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681735) is [1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide is Cc1ncc(CO)c(N2CC(CS(N)(=O)=O)CC2=O)n1.
What is the InChIKey of [1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is NYLXGJHYLITSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-7-13-3-9(5-16)11(14-7)15-4-8(2-10(15)17)6-20(12,18)19/h3,8,16H,2,4-6H2,1H3,(H2,12,18,19).
What are the key properties of [1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 300.34 g/mol, XLogP of -1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).