3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

C19H18N2O4 — CID 59304669

IUPAC3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1c(-c2ccccc2)c(=O)oc2[nH]c(=O)n(C3CCC3)c(=O)c12
InChIInChI=1S/C19H18N2O4/c1-2-13-14(11-7-4-3-5-8-11)18(23)25-16-15(13)17(22)21(19(24)20-16)12-9-6-10-12/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,20,24)
InChIKeyPNRZBRMNNRILRS-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.60
Rot. Bonds3

About 3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59304669) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59304669
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1c(-c2ccccc2)c(=O)oc2[nH]c(=O)n(C3CCC3)c(=O)c12
InChIInChI=1S/C19H18N2O4/c1-2-13-14(11-7-4-3-5-8-11)18(23)25-16-15(13)17(22)21(19(24)20-16)12-9-6-10-12/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,20,24)
InChIKeyPNRZBRMNNRILRS-UHFFFAOYSA-N
XLogP2.60
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 59304669) is 3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is CCc1c(-c2ccccc2)c(=O)oc2[nH]c(=O)n(C3CCC3)c(=O)c12.
What is the InChIKey of 3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is PNRZBRMNNRILRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-13-14(11-7-4-3-5-8-11)18(23)25-16-15(13)17(22)21(19(24)20-16)12-9-6-10-12/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,20,24).
What are the key properties of 3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 338.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59304669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).