5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione

C14H13F3N2O4 — CID 167761182

IUPAC5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione
SMILESCOc1cn(CCc2ccccc2OC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C14H13F3N2O4/c1-22-11-8-19(13(21)18-12(11)20)7-6-9-4-2-3-5-10(9)23-14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,20,21)
InChIKeyNLHXRMGHPBAFJK-UHFFFAOYSA-N
MW330.26 g/mol
LogP1.69
Rot. Bonds5

About 5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione

5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione (PubChem CID 167761182) has the molecular formula C14H13F3N2O4 and a molecular weight of 330.26 g/mol. Its IUPAC name is 5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione
PubChem CID167761182
Molecular FormulaC14H13F3N2O4
Molecular Weight330.26 g/mol
Exact Mass330.08
IUPAC Name5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione
SMILESCOc1cn(CCc2ccccc2OC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C14H13F3N2O4/c1-22-11-8-19(13(21)18-12(11)20)7-6-9-4-2-3-5-10(9)23-14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,20,21)
InChIKeyNLHXRMGHPBAFJK-UHFFFAOYSA-N
XLogP1.69
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione (CID 167761182) is 5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione is COc1cn(CCc2ccccc2OC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione?
The InChIKey is NLHXRMGHPBAFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4/c1-22-11-8-19(13(21)18-12(11)20)7-6-9-4-2-3-5-10(9)23-14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,20,21).
What are the key properties of 5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione?
5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione has a molecular weight of 330.26 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 167761182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).