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

C17H13F3N2O4 — CID 57400595

IUPAC5-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccc(C(F)(F)F)cc3)[nH]c(=O)c12
InChIInChI=1S/C17H13F3N2O4/c1-2-10-7-12(23)26-15-13(10)14(24)21-16(22-15)25-8-9-3-5-11(6-4-9)17(18,19)20/h3-7H,2,8H2,1H3,(H,21,22,24)
InChIKeyUUBDEXZMGJHVRC-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.04
Rot. Bonds4

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

5-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 57400595) has the molecular formula C17H13F3N2O4 and a molecular weight of 366.30 g/mol. Its IUPAC name is 5-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID57400595
Molecular FormulaC17H13F3N2O4
Molecular Weight366.30 g/mol
Exact Mass366.08
IUPAC Name5-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccc(C(F)(F)F)cc3)[nH]c(=O)c12
InChIInChI=1S/C17H13F3N2O4/c1-2-10-7-12(23)26-15-13(10)14(24)21-16(22-15)25-8-9-3-5-11(6-4-9)17(18,19)20/h3-7H,2,8H2,1H3,(H,21,22,24)
InChIKeyUUBDEXZMGJHVRC-UHFFFAOYSA-N
XLogP3.04
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.04
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-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 57400595) is 5-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCc3ccc(C(F)(F)F)cc3)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is UUBDEXZMGJHVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O4/c1-2-10-7-12(23)26-15-13(10)14(24)21-16(22-15)25-8-9-3-5-11(6-4-9)17(18,19)20/h3-7H,2,8H2,1H3,(H,21,22,24).
What are the key properties of 5-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 366.30 g/mol, XLogP of 3.04, 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-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 57400595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).