3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one

C12H12N2O3 — CID 55237816

IUPAC3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)c2ccco2)c(C)n1
InChIInChI=1S/C12H12N2O3/c1-8-6-12(16)14(9(2)13-8)7-10(15)11-4-3-5-17-11/h3-6H,7H2,1-2H3
InChIKeyQJHDDDCQLHOWDC-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.34
Rot. Bonds3

About 3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one

3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 55237816) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID55237816
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)c2ccco2)c(C)n1
InChIInChI=1S/C12H12N2O3/c1-8-6-12(16)14(9(2)13-8)7-10(15)11-4-3-5-17-11/h3-6H,7H2,1-2H3
InChIKeyQJHDDDCQLHOWDC-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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Related Compounds

1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 62016952
2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 63769710
3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
CID 63768337
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
CID 63769202
3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
CID 63770065
N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide
CID 676921
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7748871
3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione
CID 63799114
3,3-bis(3,5-dimethylpyrazol-1-yl)-1-(furan-2-yl)propan-1-one
CID 167993301
N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 7747939
N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 63768495
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone
CID 648019

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one (CID 55237816) is 3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CC(=O)c2ccco2)c(C)n1.
What is the InChIKey of 3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is QJHDDDCQLHOWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-6-12(16)14(9(2)13-8)7-10(15)11-4-3-5-17-11/h3-6H,7H2,1-2H3.
What are the key properties of 3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-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 3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 55237816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).