2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide

C8H13N3O5S — CID 114175413

IUPAC2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCn1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O5S/c1-10(2)17(15,16)4-3-11-7(13)5-6(12)9-8(11)14/h5,13H,3-4H2,1-2H3,(H,9,12,14)
InChIKeyWNRPPRQMHUVGHG-UHFFFAOYSA-N
MW263.27 g/mol
LogP-1.87
Rot. Bonds4

About 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide

2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide (PubChem CID 114175413) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide
PubChem CID114175413
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC Name2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCn1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O5S/c1-10(2)17(15,16)4-3-11-7(13)5-6(12)9-8(11)14/h5,13H,3-4H2,1-2H3,(H,9,12,14)
InChIKeyWNRPPRQMHUVGHG-UHFFFAOYSA-N
XLogP-1.87
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione
CID 114139779
N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide
CID 106338298
6-hydroxy-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione
CID 106260066
N-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 113481514
6-hydroxy-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
CID 34175357
1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
CID 54167729
6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
CID 113406530
6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione
CID 106377411
1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
CID 54109675
decan-3-yl 3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 91316359
6-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-dione
CID 170923877
2-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N,N-diethylethanesulfonamide
CID 167825587

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide (CID 114175413) is 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCn1c(O)cc(=O)[nH]c1=O.
What is the InChIKey of 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide?
The InChIKey is WNRPPRQMHUVGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-10(2)17(15,16)4-3-11-7(13)5-6(12)9-8(11)14/h5,13H,3-4H2,1-2H3,(H,9,12,14).
What are the key properties of 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide?
2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide has a molecular weight of 263.27 g/mol, XLogP of -1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 114175413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).