5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C21H16FN3O4 — CID 59304865

IUPAC5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccc(-c4ccncc4)cc3F)[nH]c(=O)c12
InChIInChI=1S/C21H16FN3O4/c1-2-12-10-17(26)29-20-18(12)19(27)24-21(25-20)28-11-15-4-3-14(9-16(15)22)13-5-7-23-8-6-13/h3-10H,2,11H2,1H3,(H,24,25,27)
InChIKeyFOTUGXGXFTZBCN-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.22
Rot. Bonds5

About 5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304865) has the molecular formula C21H16FN3O4 and a molecular weight of 393.37 g/mol. Its IUPAC name is 5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304865
Molecular FormulaC21H16FN3O4
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Name5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccc(-c4ccncc4)cc3F)[nH]c(=O)c12
InChIInChI=1S/C21H16FN3O4/c1-2-12-10-17(26)29-20-18(12)19(27)24-21(25-20)28-11-15-4-3-14(9-16(15)22)13-5-7-23-8-6-13/h3-10H,2,11H2,1H3,(H,24,25,27)
InChIKeyFOTUGXGXFTZBCN-UHFFFAOYSA-N
XLogP3.22
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304865) is 5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCc3ccc(-c4ccncc4)cc3F)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is FOTUGXGXFTZBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O4/c1-2-12-10-17(26)29-20-18(12)19(27)24-21(25-20)28-11-15-4-3-14(9-16(15)22)13-5-7-23-8-6-13/h3-10H,2,11H2,1H3,(H,24,25,27).
What are the key properties of 5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 393.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).