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

C22H17FN2O4 — CID 59304713

IUPAC5-ethyl-2-[[3-(2-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3cccc(-c4ccccc4F)c3)[nH]c(=O)c12
InChIInChI=1S/C22H17FN2O4/c1-2-14-11-18(26)29-21-19(14)20(27)24-22(25-21)28-12-13-6-5-7-15(10-13)16-8-3-4-9-17(16)23/h3-11H,2,12H2,1H3,(H,24,25,27)
InChIKeyOFRLCZHXSFYPDZ-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.82
Rot. Bonds5

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

5-ethyl-2-[[3-(2-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304713) has the molecular formula C22H17FN2O4 and a molecular weight of 392.39 g/mol. Its IUPAC name is 5-ethyl-2-[[3-(2-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[[3-(2-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304713
Molecular FormulaC22H17FN2O4
Molecular Weight392.39 g/mol
Exact Mass392.12
IUPAC Name5-ethyl-2-[[3-(2-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3cccc(-c4ccccc4F)c3)[nH]c(=O)c12
InChIInChI=1S/C22H17FN2O4/c1-2-14-11-18(26)29-21-19(14)20(27)24-22(25-21)28-12-13-6-5-7-15(10-13)16-8-3-4-9-17(16)23/h3-11H,2,12H2,1H3,(H,24,25,27)
InChIKeyOFRLCZHXSFYPDZ-UHFFFAOYSA-N
XLogP3.82
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[[3-(2-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[[3-(2-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304713) is 5-ethyl-2-[[3-(2-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[[3-(2-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[[3-(2-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCc3cccc(-c4ccccc4F)c3)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[[3-(2-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is OFRLCZHXSFYPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4/c1-2-14-11-18(26)29-21-19(14)20(27)24-22(25-21)28-12-13-6-5-7-15(10-13)16-8-3-4-9-17(16)23/h3-11H,2,12H2,1H3,(H,24,25,27).
What are the key properties of 5-ethyl-2-[[3-(2-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[[3-(2-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 392.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[[3-(2-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).