5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

C17H13FN2O5 — CID 15605502

IUPAC5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1cc(=O)oc2[nH]c(=O)n(CC(=O)c3cccc(F)c3)c(=O)c12
InChIInChI=1S/C17H13FN2O5/c1-2-9-7-13(22)25-15-14(9)16(23)20(17(24)19-15)8-12(21)10-4-3-5-11(18)6-10/h3-7H,2,8H2,1H3,(H,19,24)
InChIKeyICNSUKCRDNTOPO-UHFFFAOYSA-N
MW344.30 g/mol
LogP1.23
Rot. Bonds4

About 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 15605502) has the molecular formula C17H13FN2O5 and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID15605502
Molecular FormulaC17H13FN2O5
Molecular Weight344.30 g/mol
Exact Mass344.08
IUPAC Name5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1cc(=O)oc2[nH]c(=O)n(CC(=O)c3cccc(F)c3)c(=O)c12
InChIInChI=1S/C17H13FN2O5/c1-2-9-7-13(22)25-15-14(9)16(23)20(17(24)19-15)8-12(21)10-4-3-5-11(18)6-10/h3-7H,2,8H2,1H3,(H,19,24)
InChIKeyICNSUKCRDNTOPO-UHFFFAOYSA-N
XLogP1.23
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 15605502) is 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is CCc1cc(=O)oc2[nH]c(=O)n(CC(=O)c3cccc(F)c3)c(=O)c12.
What is the InChIKey of 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is ICNSUKCRDNTOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O5/c1-2-9-7-13(22)25-15-14(9)16(23)20(17(24)19-15)8-12(21)10-4-3-5-11(18)6-10/h3-7H,2,8H2,1H3,(H,19,24).
What are the key properties of 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 344.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 15605502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).