5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C23H19FN2O4 — CID 59304800

IUPAC5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OC(C)c3ccc(-c4ccccc4)cc3F)[nH]c(=O)c12
InChIInChI=1S/C23H19FN2O4/c1-3-14-12-19(27)30-22-20(14)21(28)25-23(26-22)29-13(2)17-10-9-16(11-18(17)24)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,25,26,28)
InChIKeyWSHWAVIHGQPXOM-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.38
Rot. Bonds5

About 5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304800) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304800
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OC(C)c3ccc(-c4ccccc4)cc3F)[nH]c(=O)c12
InChIInChI=1S/C23H19FN2O4/c1-3-14-12-19(27)30-22-20(14)21(28)25-23(26-22)29-13(2)17-10-9-16(11-18(17)24)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,25,26,28)
InChIKeyWSHWAVIHGQPXOM-UHFFFAOYSA-N
XLogP4.38
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-[[2-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 15605498
3-[2-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxymethyl]phenyl]benzonitrile
CID 57390148
5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57397199
3-[3-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxymethyl]phenyl]benzonitrile
CID 57397202
5-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57400595
5-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57400594
5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57397200
5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 15605499
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-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304551
5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304588

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304800) is 5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OC(C)c3ccc(-c4ccccc4)cc3F)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is WSHWAVIHGQPXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-3-14-12-19(27)30-22-20(14)21(28)25-23(26-22)29-13(2)17-10-9-16(11-18(17)24)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,25,26,28).
What are the key properties of 5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 406.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[1-(2-fluoro-4-phenylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).