[3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate

C8H10N2O5 — CID 146679883

IUPAC[3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate
SMILESCC(=O)On1c(=O)ccn(CCO)c1=O
InChIInChI=1S/C8H10N2O5/c1-6(12)15-10-7(13)2-3-9(4-5-11)8(10)14/h2-3,11H,4-5H2,1H3
InChIKeyWFGWRFNOCDDAQT-UHFFFAOYSA-N
MW214.18 g/mol
LogP-2.02
Rot. Bonds3

About [3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate

[3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate (PubChem CID 146679883) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate
PubChem CID146679883
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name[3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate
SMILESCC(=O)On1c(=O)ccn(CCO)c1=O
InChIInChI=1S/C8H10N2O5/c1-6(12)15-10-7(13)2-3-9(4-5-11)8(10)14/h2-3,11H,4-5H2,1H3
InChIKeyWFGWRFNOCDDAQT-UHFFFAOYSA-N
XLogP-2.02
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-2.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate?
The IUPAC name of [3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate (CID 146679883) is [3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate.
What is the SMILES notation for [3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate?
The canonical SMILES for [3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate is CC(=O)On1c(=O)ccn(CCO)c1=O.
What is the InChIKey of [3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate?
The InChIKey is WFGWRFNOCDDAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-6(12)15-10-7(13)2-3-9(4-5-11)8(10)14/h2-3,11H,4-5H2,1H3.
What are the key properties of [3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate?
[3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate has a molecular weight of 214.18 g/mol, XLogP of -2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl] acetate is sourced from PubChem (CID 146679883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).