7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one

C16H16N2O5 — CID 19927468

IUPAC7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one
SMILESCCC1OC(=O)c2c(Oc3nc(OC)cc(OC)n3)cccc21
InChIInChI=1S/C16H16N2O5/c1-4-10-9-6-5-7-11(14(9)15(19)22-10)23-16-17-12(20-2)8-13(18-16)21-3/h5-8,10H,4H2,1-3H3
InChIKeyODOXBGPMPLHXGR-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.91
Rot. Bonds5

About 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one

7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one (PubChem CID 19927468) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one
PubChem CID19927468
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one
SMILESCCC1OC(=O)c2c(Oc3nc(OC)cc(OC)n3)cccc21
InChIInChI=1S/C16H16N2O5/c1-4-10-9-6-5-7-11(14(9)15(19)22-10)23-16-17-12(20-2)8-13(18-16)21-3/h5-8,10H,4H2,1-3H3
InChIKeyODOXBGPMPLHXGR-UHFFFAOYSA-N
XLogP2.91
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bispyribac-sodium
CID 23682789
Benzaldehyde, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-
CID 820623
Pyriminobac-methyl
CID 9604652
2-((4,6-Dimethoxypyrimidin-2-yl)oxy)benzoic acid
CID 184185
Methyl 2-[(4-chloro-6-methoxy-2-pyrimidinyl)oxy]benzoate
CID 850265
Benzoic acid, 2-((4,6-dimethoxy-2-pyrimidinyl)oxy)-6-((1Z)-1-(methoxyimino)ethyl)-, methyl ester
CID 6451138
methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(N-methoxy-C-methylcarbonimidoyl)benzoate
CID 20056438
4-Methylphenyl 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate
CID 1020609
Sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-propan-2-yloxycarbonylphenoxy)sulfonylazanide
CID 155544732
Ethyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyloxy]benzoate
CID 155546483
Sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-propoxycarbonylphenoxy)sulfonylazanide
CID 155563279
Sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide
CID 155567264

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one?
The IUPAC name of 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one (CID 19927468) is 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one?
The canonical SMILES for 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one is CCC1OC(=O)c2c(Oc3nc(OC)cc(OC)n3)cccc21.
What is the InChIKey of 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one?
The InChIKey is ODOXBGPMPLHXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-4-10-9-6-5-7-11(14(9)15(19)22-10)23-16-17-12(20-2)8-13(18-16)21-3/h5-8,10H,4H2,1-3H3.
What are the key properties of 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one?
7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one has a molecular weight of 316.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 19927468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).