5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C14H14N2O5 — CID 24954572

IUPAC5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCC#CCCO)[nH]c(=O)c12
InChIInChI=1S/C14H14N2O5/c1-2-9-8-10(18)21-13-11(9)12(19)15-14(16-13)20-7-5-3-4-6-17/h8,17H,2,4,6-7H2,1H3,(H,15,16,19)
InChIKeyQXYQGNQCGMRZCT-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.20
Rot. Bonds4

About 5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 24954572) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID24954572
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCC#CCCO)[nH]c(=O)c12
InChIInChI=1S/C14H14N2O5/c1-2-9-8-10(18)21-13-11(9)12(19)15-14(16-13)20-7-5-3-4-6-17/h8,17H,2,4,6-7H2,1H3,(H,15,16,19)
InChIKeyQXYQGNQCGMRZCT-UHFFFAOYSA-N
XLogP0.20
TPSA105.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 24954572) is 5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCC#CCCO)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is QXYQGNQCGMRZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-2-9-8-10(18)21-13-11(9)12(19)15-14(16-13)20-7-5-3-4-6-17/h8,17H,2,4,6-7H2,1H3,(H,15,16,19).
What are the key properties of 5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 290.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 24954572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).