5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

C10H13F3N2O — CID 71110196

IUPAC5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCCc1ncn(CC(F)(F)F)c(=O)c1CC
InChIInChI=1S/C10H13F3N2O/c1-3-7-8(4-2)14-6-15(9(7)16)5-10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyHZLDQMJIEBKYHF-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.93
Rot. Bonds3

About 5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (PubChem CID 71110196) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
PubChem CID71110196
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCCc1ncn(CC(F)(F)F)c(=O)c1CC
InChIInChI=1S/C10H13F3N2O/c1-3-7-8(4-2)14-6-15(9(7)16)5-10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyHZLDQMJIEBKYHF-UHFFFAOYSA-N
XLogP1.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The IUPAC name of 5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (CID 71110196) is 5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is CCc1ncn(CC(F)(F)F)c(=O)c1CC.
What is the InChIKey of 5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The InChIKey is HZLDQMJIEBKYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-3-7-8(4-2)14-6-15(9(7)16)5-10(11,12)13/h6H,3-5H2,1-2H3.
What are the key properties of 5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one has a molecular weight of 234.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is sourced from PubChem (CID 71110196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).