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

C23H19FN2O4 — CID 58757456

IUPAC5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OC(C)c3ccccc3-c3ccc(F)cc3)[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)17-6-4-5-7-18(17)15-8-10-16(24)11-9-15/h4-13H,3H2,1-2H3,(H,25,26,28)
InChIKeyVHZDVPVCYGFWKG-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.38
Rot. Bonds5

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

5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58757456) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58757456
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OC(C)c3ccccc3-c3ccc(F)cc3)[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)17-6-4-5-7-18(17)15-8-10-16(24)11-9-15/h4-13H,3H2,1-2H3,(H,25,26,28)
InChIKeyVHZDVPVCYGFWKG-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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 58757456) is 5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OC(C)c3ccccc3-c3ccc(F)cc3)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is VHZDVPVCYGFWKG-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)17-6-4-5-7-18(17)15-8-10-16(24)11-9-15/h4-13H,3H2,1-2H3,(H,25,26,28).
What are the key properties of 5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]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-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58757456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).