3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione

C13H14N2O4 — CID 63799114

IUPAC3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CC(=O)c2ccco2)c1=O
InChIInChI=1S/C13H14N2O4/c1-2-6-14-7-5-12(17)15(13(14)18)9-10(16)11-4-3-8-19-11/h3-5,7-8H,2,6,9H2,1H3
InChIKeyQMLDXPLLGBJBFR-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.90
Rot. Bonds5

About 3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione

3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione (PubChem CID 63799114) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione
PubChem CID63799114
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CC(=O)c2ccco2)c1=O
InChIInChI=1S/C13H14N2O4/c1-2-6-14-7-5-12(17)15(13(14)18)9-10(16)11-4-3-8-19-11/h3-5,7-8H,2,6,9H2,1H3
InChIKeyQMLDXPLLGBJBFR-UHFFFAOYSA-N
XLogP0.90
TPSA74.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one
CID 80581376
3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione
CID 63800154
2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide
CID 63812383
3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione
CID 102940695
1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
CID 63810291
5-(2,6-dioxo-3-propylpyrimidin-1-yl)pentanenitrile
CID 63800672
2-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide
CID 63812547
2-(2-ethylimidazol-1-yl)-1-(furan-2-yl)ethanone
CID 61405119
3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
CID 55237816
1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63811395
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone
CID 648019
1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 62016952

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione (CID 63799114) is 3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(CC(=O)c2ccco2)c1=O.
What is the InChIKey of 3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is QMLDXPLLGBJBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-6-14-7-5-12(17)15(13(14)18)9-10(16)11-4-3-8-19-11/h3-5,7-8H,2,6,9H2,1H3.
What are the key properties of 3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione?
3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 262.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63799114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).