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

C16H13FN2O4 — CID 15605499

IUPAC5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccc(F)cc3)[nH]c(=O)c12
InChIInChI=1S/C16H13FN2O4/c1-2-10-7-12(20)23-15-13(10)14(21)18-16(19-15)22-8-9-3-5-11(17)6-4-9/h3-7H,2,8H2,1H3,(H,18,19,21)
InChIKeySDFXDICJTWEPBD-UHFFFAOYSA-N
MW316.29 g/mol
LogP2.16
Rot. Bonds4

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

5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 15605499) has the molecular formula C16H13FN2O4 and a molecular weight of 316.29 g/mol. Its IUPAC name is 5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID15605499
Molecular FormulaC16H13FN2O4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccc(F)cc3)[nH]c(=O)c12
InChIInChI=1S/C16H13FN2O4/c1-2-10-7-12(20)23-15-13(10)14(21)18-16(19-15)22-8-9-3-5-11(17)6-4-9/h3-7H,2,8H2,1H3,(H,18,19,21)
InChIKeySDFXDICJTWEPBD-UHFFFAOYSA-N
XLogP2.16
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 15605499) is 5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCc3ccc(F)cc3)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is SDFXDICJTWEPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4/c1-2-10-7-12(20)23-15-13(10)14(21)18-16(19-15)22-8-9-3-5-11(17)6-4-9/h3-7H,2,8H2,1H3,(H,18,19,21).
What are the key properties of 5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 316.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 15605499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).