8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione

C13H9FN2O4 — CID 129279570

IUPAC8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1F
InChIInChI=1S/C13H9FN2O4/c1-2-19-10-5-9-6(4-8(10)14)3-7-11(17)15-13(18)16-12(7)20-9/h3-5H,2H2,1H3,(H,15,17,18)
InChIKeyHORLZAWADNENIO-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.52
Rot. Bonds2

About 8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione

8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129279570) has the molecular formula C13H9FN2O4 and a molecular weight of 276.22 g/mol. Its IUPAC name is 8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID129279570
Molecular FormulaC13H9FN2O4
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC Name8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1F
InChIInChI=1S/C13H9FN2O4/c1-2-19-10-5-9-6(4-8(10)14)3-7-11(17)15-13(18)16-12(7)20-9/h3-5H,2H2,1H3,(H,15,17,18)
InChIKeyHORLZAWADNENIO-UHFFFAOYSA-N
XLogP1.52
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione (CID 129279570) is 8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione is CCOc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1F.
What is the InChIKey of 8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HORLZAWADNENIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O4/c1-2-19-10-5-9-6(4-8(10)14)3-7-11(17)15-13(18)16-12(7)20-9/h3-5H,2H2,1H3,(H,15,17,18).
What are the key properties of 8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione?
8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 276.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129279570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).