2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C18H14N2O6S — CID 59304749

IUPAC2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCC3=Cc4ccccc4S3(=O)=O)[nH]c(=O)c12
InChIInChI=1S/C18H14N2O6S/c1-2-10-8-14(21)26-17-15(10)16(22)19-18(20-17)25-9-12-7-11-5-3-4-6-13(11)27(12,23)24/h3-8H,2,9H2,1H3,(H,19,20,22)
InChIKeyWKIYVPVCVDTONL-UHFFFAOYSA-N
MW386.39 g/mol
LogP1.65
Rot. Bonds4

About 2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304749) has the molecular formula C18H14N2O6S and a molecular weight of 386.39 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304749
Molecular FormulaC18H14N2O6S
Molecular Weight386.39 g/mol
Exact Mass386.06
IUPAC Name2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCC3=Cc4ccccc4S3(=O)=O)[nH]c(=O)c12
InChIInChI=1S/C18H14N2O6S/c1-2-10-8-14(21)26-17-15(10)16(22)19-18(20-17)25-9-12-7-11-5-3-4-6-13(11)27(12,23)24/h3-8H,2,9H2,1H3,(H,19,20,22)
InChIKeyWKIYVPVCVDTONL-UHFFFAOYSA-N
XLogP1.65
TPSA119.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione 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

5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57397199
5-ethyl-2-[(1-methylpyridin-1-ium-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 123804461
2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304909
5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304899
5-ethyl-2-[(4-methylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-[[2-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 123447929
2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 89271872
5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304878
2-[[3-(3-chloro-4-fluorophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304895
5-ethyl-2-[(1-methylpyridin-1-ium-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-[(6-methyl-2-pyridinyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 123649358
5-ethyl-2-(3-methyl-1-phenylbutoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 163869895
2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 143333035
5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304950

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304749) is 2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCC3=Cc4ccccc4S3(=O)=O)[nH]c(=O)c12.
What is the InChIKey of 2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is WKIYVPVCVDTONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O6S/c1-2-10-8-14(21)26-17-15(10)16(22)19-18(20-17)25-9-12-7-11-5-3-4-6-13(11)27(12,23)24/h3-8H,2,9H2,1H3,(H,19,20,22).
What are the key properties of 2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 386.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).