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

C18H16N2O5 — CID 58187387

IUPAC5-ethyl-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1cc(=O)oc2[nH]c(=O)n(CC(=O)c3ccc(C)cc3)c(=O)c12
InChIInChI=1S/C18H16N2O5/c1-3-11-8-14(22)25-16-15(11)17(23)20(18(24)19-16)9-13(21)12-6-4-10(2)5-7-12/h4-8H,3,9H2,1-2H3,(H,19,24)
InChIKeyJNMKOCHTISGTSJ-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.40
Rot. Bonds4

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

5-ethyl-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 58187387) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 5-ethyl-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-ethyl-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID58187387
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name5-ethyl-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1cc(=O)oc2[nH]c(=O)n(CC(=O)c3ccc(C)cc3)c(=O)c12
InChIInChI=1S/C18H16N2O5/c1-3-11-8-14(22)25-16-15(11)17(23)20(18(24)19-16)9-13(21)12-6-4-10(2)5-7-12/h4-8H,3,9H2,1-2H3,(H,19,24)
InChIKeyJNMKOCHTISGTSJ-UHFFFAOYSA-N
XLogP1.40
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.40
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-(4-methylphenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-ethyl-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 58187387) is 5-ethyl-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-ethyl-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-ethyl-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is CCc1cc(=O)oc2[nH]c(=O)n(CC(=O)c3ccc(C)cc3)c(=O)c12.
What is the InChIKey of 5-ethyl-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is JNMKOCHTISGTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-3-11-8-14(22)25-16-15(11)17(23)20(18(24)19-16)9-13(21)12-6-4-10(2)5-7-12/h4-8H,3,9H2,1-2H3,(H,19,24).
What are the key properties of 5-ethyl-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-ethyl-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 340.34 g/mol, XLogP of 1.40, 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-(4-methylphenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 58187387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).