2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate

C7H10N2O5S — CID 10243099

IUPAC2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O5S/c1-15(12,13)14-3-2-5-4-8-7(11)9-6(5)10/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyGTAAJKZPDFSKSG-UHFFFAOYSA-N
MW234.23 g/mol
LogP-1.42
Rot. Bonds4

About 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate

2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate (PubChem CID 10243099) has the molecular formula C7H10N2O5S and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate
PubChem CID10243099
Molecular FormulaC7H10N2O5S
Molecular Weight234.23 g/mol
Exact Mass234.03
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O5S/c1-15(12,13)14-3-2-5-4-8-7(11)9-6(5)10/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyGTAAJKZPDFSKSG-UHFFFAOYSA-N
XLogP-1.42
TPSA109.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate (CID 10243099) is 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate is CS(=O)(=O)OCCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate?
The InChIKey is GTAAJKZPDFSKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5S/c1-15(12,13)14-3-2-5-4-8-7(11)9-6(5)10/h4H,2-3H2,1H3,(H2,8,9,10,11).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate?
2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate has a molecular weight of 234.23 g/mol, XLogP of -1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate is sourced from PubChem (CID 10243099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).