1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

C12H12N2O3 — CID 62016952

IUPAC1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)c2ccco2)c(=O)n1
InChIInChI=1S/C12H12N2O3/c1-8-6-9(2)14(12(16)13-8)7-10(15)11-4-3-5-17-11/h3-6H,7H2,1-2H3
InChIKeyLKTSXEHFPPJNKI-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.34
Rot. Bonds3

About 1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 62016952) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID62016952
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)c2ccco2)c(=O)n1
InChIInChI=1S/C12H12N2O3/c1-8-6-9(2)14(12(16)13-8)7-10(15)11-4-3-5-17-11/h3-6H,7H2,1-2H3
InChIKeyLKTSXEHFPPJNKI-UHFFFAOYSA-N
XLogP1.34
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (CID 62016952) is 1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CC(=O)c2ccco2)c(=O)n1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is LKTSXEHFPPJNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-6-9(2)14(12(16)13-8)7-10(15)11-4-3-5-17-11/h3-6H,7H2,1-2H3.
What are the key properties of 1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 232.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 62016952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).