3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione

C10H13F3N2O3 — CID 174884912

IUPAC3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C)cn(CCOC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O3/c1-3-15-8(16)7(2)6-14(9(15)17)4-5-18-10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyYZMYCRNAYVPFNN-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.87
Rot. Bonds4

About 3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione

3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 174884912) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
PubChem CID174884912
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C)cn(CCOC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O3/c1-3-15-8(16)7(2)6-14(9(15)17)4-5-18-10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyYZMYCRNAYVPFNN-UHFFFAOYSA-N
XLogP0.87
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione (CID 174884912) is 3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione is CCn1c(=O)c(C)cn(CCOC(F)(F)F)c1=O.
What is the InChIKey of 3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is YZMYCRNAYVPFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-3-15-8(16)7(2)6-14(9(15)17)4-5-18-10(11,12)13/h6H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione?
3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 266.22 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 174884912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).