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

C15H16N2O4 — CID 24954935

IUPAC5-ethyl-2-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCCC#CCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
InChIInChI=1S/C15H16N2O4/c1-3-5-6-7-8-20-15-16-13(19)12-10(4-2)9-11(18)21-14(12)17-15/h9H,3-5,8H2,1-2H3,(H,16,17,19)
InChIKeyKUBWFXPZODPNEN-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.62
Rot. Bonds4

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

5-ethyl-2-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 24954935) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-ethyl-2-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID24954935
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-ethyl-2-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCCC#CCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
InChIInChI=1S/C15H16N2O4/c1-3-5-6-7-8-20-15-16-13(19)12-10(4-2)9-11(18)21-14(12)17-15/h9H,3-5,8H2,1-2H3,(H,16,17,19)
InChIKeyKUBWFXPZODPNEN-UHFFFAOYSA-N
XLogP1.62
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 24954935) is 5-ethyl-2-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCCC#CCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1.
What is the InChIKey of 5-ethyl-2-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is KUBWFXPZODPNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-5-6-7-8-20-15-16-13(19)12-10(4-2)9-11(18)21-14(12)17-15/h9H,3-5,8H2,1-2H3,(H,16,17,19).
What are the key properties of 5-ethyl-2-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 288.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 24954935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).