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

C17H13FN2O4 — CID 58187498

IUPAC5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2ncn(CC(=O)c3cccc(F)c3)c(=O)c12
InChIInChI=1S/C17H13FN2O4/c1-2-10-7-14(22)24-16-15(10)17(23)20(9-19-16)8-13(21)11-4-3-5-12(18)6-11/h3-7,9H,2,8H2,1H3
InChIKeyNFMUAIKIFBORCG-UHFFFAOYSA-N
MW328.30 g/mol
LogP1.93
Rot. Bonds4

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

5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58187498) has the molecular formula C17H13FN2O4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58187498
Molecular FormulaC17H13FN2O4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2ncn(CC(=O)c3cccc(F)c3)c(=O)c12
InChIInChI=1S/C17H13FN2O4/c1-2-10-7-14(22)24-16-15(10)17(23)20(9-19-16)8-13(21)11-4-3-5-12(18)6-11/h3-7,9H,2,8H2,1H3
InChIKeyNFMUAIKIFBORCG-UHFFFAOYSA-N
XLogP1.93
TPSA82.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
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]pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]pyrano[2,3-d]pyrimidine-4,7-dione (CID 58187498) is 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2ncn(CC(=O)c3cccc(F)c3)c(=O)c12.
What is the InChIKey of 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is NFMUAIKIFBORCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4/c1-2-10-7-14(22)24-16-15(10)17(23)20(9-19-16)8-13(21)11-4-3-5-12(18)6-11/h3-7,9H,2,8H2,1H3.
What are the key properties of 5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 328.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 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]pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58187498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).