3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C8H9F3N2O3 — CID 162575860

IUPAC3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCOn1c(=O)cc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C8H9F3N2O3/c1-3-16-13-6(14)4-5(8(9,10)11)12(2)7(13)15/h4H,3H2,1-2H3
InChIKeyMWYPZMHIAMVBAV-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.01
Rot. Bonds2

About 3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 162575860) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID162575860
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCOn1c(=O)cc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C8H9F3N2O3/c1-3-16-13-6(14)4-5(8(9,10)11)12(2)7(13)15/h4H,3H2,1-2H3
InChIKeyMWYPZMHIAMVBAV-UHFFFAOYSA-N
XLogP0.01
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 162575860) is 3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is CCOn1c(=O)cc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is MWYPZMHIAMVBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-3-16-13-6(14)4-5(8(9,10)11)12(2)7(13)15/h4H,3H2,1-2H3.
What are the key properties of 3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 238.16 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 162575860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).