5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C23H19FN2O5 — CID 59304592

IUPAC5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccc(-c4cccc(OC)c4)cc3F)[nH]c(=O)c12
InChIInChI=1S/C23H19FN2O5/c1-3-13-11-19(27)31-22-20(13)21(28)25-23(26-22)30-12-16-8-7-15(10-18(16)24)14-5-4-6-17(9-14)29-2/h4-11H,3,12H2,1-2H3,(H,25,26,28)
InChIKeyMCHDQXAJMBODGT-UHFFFAOYSA-N
MW422.41 g/mol
LogP3.83
Rot. Bonds6

About 5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304592) has the molecular formula C23H19FN2O5 and a molecular weight of 422.41 g/mol. Its IUPAC name is 5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304592
Molecular FormulaC23H19FN2O5
Molecular Weight422.41 g/mol
Exact Mass422.13
IUPAC Name5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccc(-c4cccc(OC)c4)cc3F)[nH]c(=O)c12
InChIInChI=1S/C23H19FN2O5/c1-3-13-11-19(27)31-22-20(13)21(28)25-23(26-22)30-12-16-8-7-15(10-18(16)24)14-5-4-6-17(9-14)29-2/h4-11H,3,12H2,1-2H3,(H,25,26,28)
InChIKeyMCHDQXAJMBODGT-UHFFFAOYSA-N
XLogP3.83
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione with MolForge

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Related Compounds

5-ethyl-2-[(2-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57395376
5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57398905
5-ethyl-2-[(4-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57397201
5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58317017
5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58757456
5-ethyl-2-[[2-(trifluoromethoxy)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304570
5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304588
5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304591
5-ethyl-2-[1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304621
5-ethyl-2-[[3-(2-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304713
2-[2-[3-(1,1-difluoroethyl)phenoxy]ethoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304762
5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304800

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304592) is 5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCc3ccc(-c4cccc(OC)c4)cc3F)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is MCHDQXAJMBODGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O5/c1-3-13-11-19(27)31-22-20(13)21(28)25-23(26-22)30-12-16-8-7-15(10-18(16)24)14-5-4-6-17(9-14)29-2/h4-11H,3,12H2,1-2H3,(H,25,26,28).
What are the key properties of 5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 422.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).