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

C15H14N2O4 — CID 57398906

IUPAC2-(3-cyclopropylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCC#CC3CC3)[nH]c(=O)c12
InChIInChI=1S/C15H14N2O4/c1-2-10-8-11(18)21-14-12(10)13(19)16-15(17-14)20-7-3-4-9-5-6-9/h8-9H,2,5-7H2,1H3,(H,16,17,19)
InChIKeyBKAAVLZRHRFBKI-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.23
Rot. Bonds3

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

2-(3-cyclopropylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 57398906) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(3-cyclopropylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(3-cyclopropylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID57398906
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-(3-cyclopropylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCC#CC3CC3)[nH]c(=O)c12
InChIInChI=1S/C15H14N2O4/c1-2-10-8-11(18)21-14-12(10)13(19)16-15(17-14)20-7-3-4-9-5-6-9/h8-9H,2,5-7H2,1H3,(H,16,17,19)
InChIKeyBKAAVLZRHRFBKI-UHFFFAOYSA-N
XLogP1.23
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.23
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 2-(3-cyclopropylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(3-cyclopropylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 57398906) is 2-(3-cyclopropylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(3-cyclopropylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(3-cyclopropylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCC#CC3CC3)[nH]c(=O)c12.
What is the InChIKey of 2-(3-cyclopropylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is BKAAVLZRHRFBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-10-8-11(18)21-14-12(10)13(19)16-15(17-14)20-7-3-4-9-5-6-9/h8-9H,2,5-7H2,1H3,(H,16,17,19).
What are the key properties of 2-(3-cyclopropylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-(3-cyclopropylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 286.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 57398906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).