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

C19H18N2O4 — CID 59304688

IUPAC5-(2-cyclobutylethyl)-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(CCC3CCC3)c(-c3ccccc3)c(=O)oc2[nH]1
InChIInChI=1S/C19H18N2O4/c22-16-15-13(10-9-11-5-4-6-11)14(12-7-2-1-3-8-12)18(23)25-17(15)21-19(24)20-16/h1-3,7-8,11H,4-6,9-10H2,(H2,20,21,22,24)
InChIKeyGIVQMFIAVXWOHL-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.57
Rot. Bonds4

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

5-(2-cyclobutylethyl)-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59304688) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 5-(2-cyclobutylethyl)-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(2-cyclobutylethyl)-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59304688
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name5-(2-cyclobutylethyl)-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(CCC3CCC3)c(-c3ccccc3)c(=O)oc2[nH]1
InChIInChI=1S/C19H18N2O4/c22-16-15-13(10-9-11-5-4-6-11)14(12-7-2-1-3-8-12)18(23)25-17(15)21-19(24)20-16/h1-3,7-8,11H,4-6,9-10H2,(H2,20,21,22,24)
InChIKeyGIVQMFIAVXWOHL-UHFFFAOYSA-N
XLogP2.57
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutylethyl)-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(2-cyclobutylethyl)-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 59304688) is 5-(2-cyclobutylethyl)-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(2-cyclobutylethyl)-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(2-cyclobutylethyl)-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is O=c1[nH]c(=O)c2c(CCC3CCC3)c(-c3ccccc3)c(=O)oc2[nH]1.
What is the InChIKey of 5-(2-cyclobutylethyl)-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is GIVQMFIAVXWOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-16-15-13(10-9-11-5-4-6-11)14(12-7-2-1-3-8-12)18(23)25-17(15)21-19(24)20-16/h1-3,7-8,11H,4-6,9-10H2,(H2,20,21,22,24).
What are the key properties of 5-(2-cyclobutylethyl)-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-(2-cyclobutylethyl)-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 338.36 g/mol, XLogP of 2.57, 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-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59304688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).