5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C18H15F3N2O4 — CID 59304551

IUPAC5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OC(C)c3ccccc3C(F)(F)F)[nH]c(=O)c12
InChIInChI=1S/C18H15F3N2O4/c1-3-10-8-13(24)27-16-14(10)15(25)22-17(23-16)26-9(2)11-6-4-5-7-12(11)18(19,20)21/h4-9H,3H2,1-2H3,(H,22,23,25)
InChIKeyDKILZMXTHNKTTE-UHFFFAOYSA-N
MW380.32 g/mol
LogP3.60
Rot. Bonds4

About 5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304551) has the molecular formula C18H15F3N2O4 and a molecular weight of 380.32 g/mol. Its IUPAC name is 5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304551
Molecular FormulaC18H15F3N2O4
Molecular Weight380.32 g/mol
Exact Mass380.10
IUPAC Name5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OC(C)c3ccccc3C(F)(F)F)[nH]c(=O)c12
InChIInChI=1S/C18H15F3N2O4/c1-3-10-8-13(24)27-16-14(10)15(25)22-17(23-16)26-9(2)11-6-4-5-7-12(11)18(19,20)21/h4-9H,3H2,1-2H3,(H,22,23,25)
InChIKeyDKILZMXTHNKTTE-UHFFFAOYSA-N
XLogP3.60
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304551) is 5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OC(C)c3ccccc3C(F)(F)F)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is DKILZMXTHNKTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O4/c1-3-10-8-13(24)27-16-14(10)15(25)22-17(23-16)26-9(2)11-6-4-5-7-12(11)18(19,20)21/h4-9H,3H2,1-2H3,(H,22,23,25).
What are the key properties of 5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 380.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).