5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione

C11H10N2O4 — CID 56683947

IUPAC5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(Cc2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C11H10N2O4/c1-7(14)9-6-13(11(16)12-10(9)15)5-8-3-2-4-17-8/h2-4,6H,5H2,1H3,(H,12,15,16)
InChIKeyHYFXMYBMJWPIAM-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.38
Rot. Bonds3

About 5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione

5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 56683947) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID56683947
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(Cc2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C11H10N2O4/c1-7(14)9-6-13(11(16)12-10(9)15)5-8-3-2-4-17-8/h2-4,6H,5H2,1H3,(H,12,15,16)
InChIKeyHYFXMYBMJWPIAM-UHFFFAOYSA-N
XLogP0.38
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-1-benzylpyrimidine-2,4-dione
CID 3334243
[1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate
CID 67751033
1-[(5-ethylthiophen-2-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 114136258
ethyl N-[2,4-dioxo-1-(thiophen-2-ylmethyl)pyrimidine-5-carbonyl]carbamate
CID 2821936
5-bromo-1-(furan-2-ylmethyl)pyridin-2-one
CID 60773320
5-(ethyliminomethyl)-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 137144670
5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025767
N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025685
5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione
CID 2763787
N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 56738088
1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone
CID 71470002
1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82113564

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione (CID 56683947) is 5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione is CC(=O)c1cn(Cc2ccco2)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is HYFXMYBMJWPIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-7(14)9-6-13(11(16)12-10(9)15)5-8-3-2-4-17-8/h2-4,6H,5H2,1H3,(H,12,15,16).
What are the key properties of 5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione?
5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 234.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 56683947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).