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

C17H13F3N2O5 — CID 59304570

IUPAC5-ethyl-2-[[2-(trifluoromethoxy)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccccc3OC(F)(F)F)[nH]c(=O)c12
InChIInChI=1S/C17H13F3N2O5/c1-2-9-7-12(23)26-15-13(9)14(24)21-16(22-15)25-8-10-5-3-4-6-11(10)27-17(18,19)20/h3-7H,2,8H2,1H3,(H,21,22,24)
InChIKeyCZJRTCPWFXQAMD-UHFFFAOYSA-N
MW382.29 g/mol
LogP2.92
Rot. Bonds5

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

5-ethyl-2-[[2-(trifluoromethoxy)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304570) has the molecular formula C17H13F3N2O5 and a molecular weight of 382.29 g/mol. Its IUPAC name is 5-ethyl-2-[[2-(trifluoromethoxy)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[[2-(trifluoromethoxy)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304570
Molecular FormulaC17H13F3N2O5
Molecular Weight382.29 g/mol
Exact Mass382.08
IUPAC Name5-ethyl-2-[[2-(trifluoromethoxy)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccccc3OC(F)(F)F)[nH]c(=O)c12
InChIInChI=1S/C17H13F3N2O5/c1-2-9-7-12(23)26-15-13(9)14(24)21-16(22-15)25-8-10-5-3-4-6-11(10)27-17(18,19)20/h3-7H,2,8H2,1H3,(H,21,22,24)
InChIKeyCZJRTCPWFXQAMD-UHFFFAOYSA-N
XLogP2.92
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 52.92
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-(trifluoromethoxy)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[[2-(trifluoromethoxy)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304570) is 5-ethyl-2-[[2-(trifluoromethoxy)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[[2-(trifluoromethoxy)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[[2-(trifluoromethoxy)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCc3ccccc3OC(F)(F)F)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[[2-(trifluoromethoxy)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is CZJRTCPWFXQAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O5/c1-2-9-7-12(23)26-15-13(9)14(24)21-16(22-15)25-8-10-5-3-4-6-11(10)27-17(18,19)20/h3-7H,2,8H2,1H3,(H,21,22,24).
What are the key properties of 5-ethyl-2-[[2-(trifluoromethoxy)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[[2-(trifluoromethoxy)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 382.29 g/mol, XLogP of 2.92, 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-(trifluoromethoxy)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).