5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C15H15F3N2O3 — CID 24955292

IUPAC5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1cc(CCC2CCCC2)c2c(=O)[nH]c(C(F)(F)F)nc2o1
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)14-19-12(22)11-9(6-5-8-3-1-2-4-8)7-10(21)23-13(11)20-14/h7-8H,1-6H2,(H,19,20,22)
InChIKeyAJGCOCAWVLGYEI-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.02
Rot. Bonds3

About 5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 24955292) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID24955292
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Name5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1cc(CCC2CCCC2)c2c(=O)[nH]c(C(F)(F)F)nc2o1
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)14-19-12(22)11-9(6-5-8-3-1-2-4-8)7-10(21)23-13(11)20-14/h7-8H,1-6H2,(H,19,20,22)
InChIKeyAJGCOCAWVLGYEI-UHFFFAOYSA-N
XLogP3.02
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-cyclopentylethyl)-2-(trifluoromethyl)-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-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 24955292) is 5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is O=c1cc(CCC2CCCC2)c2c(=O)[nH]c(C(F)(F)F)nc2o1.
What is the InChIKey of 5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is AJGCOCAWVLGYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c16-15(17,18)14-19-12(22)11-9(6-5-8-3-1-2-4-8)7-10(21)23-13(11)20-14/h7-8H,1-6H2,(H,19,20,22).
What are the key properties of 5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 328.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 24955292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).