5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione

C13H14N2O4 — CID 80643561

IUPAC5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C(C)c2ccc(C)o2)c1=O
InChIInChI=1S/C13H14N2O4/c1-7-4-5-11(19-7)8(2)15-12(17)10(9(3)16)6-14-13(15)18/h4-6,8H,1-3H3,(H,14,18)
InChIKeyXGLPXQBLPDALJQ-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.25
Rot. Bonds3

About 5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione

5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 80643561) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID80643561
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C(C)c2ccc(C)o2)c1=O
InChIInChI=1S/C13H14N2O4/c1-7-4-5-11(19-7)8(2)15-12(17)10(9(3)16)6-14-13(15)18/h4-6,8H,1-3H3,(H,14,18)
InChIKeyXGLPXQBLPDALJQ-UHFFFAOYSA-N
XLogP1.25
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione (CID 80643561) is 5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(C(C)c2ccc(C)o2)c1=O.
What is the InChIKey of 5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XGLPXQBLPDALJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7-4-5-11(19-7)8(2)15-12(17)10(9(3)16)6-14-13(15)18/h4-6,8H,1-3H3,(H,14,18).
What are the key properties of 5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione?
5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 262.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).