1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione

C13H10N2O5 — CID 62024301

IUPAC1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N2O5/c16-9(6-15-4-3-12(17)14-13(15)18)8-1-2-10-11(5-8)20-7-19-10/h1-5H,6-7H2,(H,14,17,18)
InChIKeyGMEMCXBRUDBVGV-UHFFFAOYSA-N
MW274.23 g/mol
LogP0.15
Rot. Bonds3

About 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione

1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 62024301) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID62024301
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N2O5/c16-9(6-15-4-3-12(17)14-13(15)18)8-1-2-10-11(5-8)20-7-19-10/h1-5H,6-7H2,(H,14,17,18)
InChIKeyGMEMCXBRUDBVGV-UHFFFAOYSA-N
XLogP0.15
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one
CID 80580043
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632990
1-(1,3-benzodioxol-5-yl)-2-pyrazol-1-ylethanone
CID 43798084
1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
CID 71794576
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone
CID 110368863
1,3-bis(1,3-benzodioxol-5-yl)propan-1-one
CID 121289567
4-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 94285024
1-(1,3-benzodioxol-5-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63635151
ethyl 4-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368868
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 42941035
2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135488234
1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 138391555

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione (CID 62024301) is 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is GMEMCXBRUDBVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c16-9(6-15-4-3-12(17)14-13(15)18)8-1-2-10-11(5-8)20-7-19-10/h1-5H,6-7H2,(H,14,17,18).
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 274.23 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62024301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).