5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

C19H17FN2O4 — CID 59304656

IUPAC5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(CCC3CCC3)c(-c3ccc(F)cc3)c(=O)oc2[nH]1
InChIInChI=1S/C19H17FN2O4/c20-12-7-5-11(6-8-12)14-13(9-4-10-2-1-3-10)15-16(23)21-19(25)22-17(15)26-18(14)24/h5-8,10H,1-4,9H2,(H2,21,22,23,25)
InChIKeyGCRBWRAOQKIDMH-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.71
Rot. Bonds4

About 5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59304656) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59304656
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(CCC3CCC3)c(-c3ccc(F)cc3)c(=O)oc2[nH]1
InChIInChI=1S/C19H17FN2O4/c20-12-7-5-11(6-8-12)14-13(9-4-10-2-1-3-10)15-16(23)21-19(25)22-17(15)26-18(14)24/h5-8,10H,1-4,9H2,(H2,21,22,23,25)
InChIKeyGCRBWRAOQKIDMH-UHFFFAOYSA-N
XLogP2.71
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 59304656) is 5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is O=c1[nH]c(=O)c2c(CCC3CCC3)c(-c3ccc(F)cc3)c(=O)oc2[nH]1.
What is the InChIKey of 5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is GCRBWRAOQKIDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c20-12-7-5-11(6-8-12)14-13(9-4-10-2-1-3-10)15-16(23)21-19(25)22-17(15)26-18(14)24/h5-8,10H,1-4,9H2,(H2,21,22,23,25).
What are the key properties of 5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 356.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59304656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).