5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

C17H14N2O5 — CID 15605430

IUPAC5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1cc(=O)oc2[nH]c(=O)n(CC(=O)c3ccccc3)c(=O)c12
InChIInChI=1S/C17H14N2O5/c1-2-10-8-13(21)24-15-14(10)16(22)19(17(23)18-15)9-12(20)11-6-4-3-5-7-11/h3-8H,2,9H2,1H3,(H,18,23)
InChIKeySPGJSTUCTCPABT-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.09
Rot. Bonds4

About 5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 15605430) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID15605430
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1cc(=O)oc2[nH]c(=O)n(CC(=O)c3ccccc3)c(=O)c12
InChIInChI=1S/C17H14N2O5/c1-2-10-8-13(21)24-15-14(10)16(22)19(17(23)18-15)9-12(20)11-6-4-3-5-7-11/h3-8H,2,9H2,1H3,(H,18,23)
InChIKeySPGJSTUCTCPABT-UHFFFAOYSA-N
XLogP1.09
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 15605430) is 5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is CCc1cc(=O)oc2[nH]c(=O)n(CC(=O)c3ccccc3)c(=O)c12.
What is the InChIKey of 5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is SPGJSTUCTCPABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-2-10-8-13(21)24-15-14(10)16(22)19(17(23)18-15)9-12(20)11-6-4-3-5-7-11/h3-8H,2,9H2,1H3,(H,18,23).
What are the key properties of 5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 326.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 15605430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).