4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

C10H13F3N2O2 — CID 136890424

IUPAC4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESCCc1nc(COCC(F)(F)F)[nH]c(=O)c1C
InChIInChI=1S/C10H13F3N2O2/c1-3-7-6(2)9(16)15-8(14-7)4-17-5-10(11,12)13/h3-5H2,1-2H3,(H,14,15,16)
InChIKeyLRKVWOIPIZRGLT-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.72
Rot. Bonds4

About 4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136890424) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
PubChem CID136890424
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESCCc1nc(COCC(F)(F)F)[nH]c(=O)c1C
InChIInChI=1S/C10H13F3N2O2/c1-3-7-6(2)9(16)15-8(14-7)4-17-5-10(11,12)13/h3-5H2,1-2H3,(H,14,15,16)
InChIKeyLRKVWOIPIZRGLT-UHFFFAOYSA-N
XLogP1.72
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-phenyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890465
5-bromo-4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890437
4,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136967812
5-ethyl-4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890411
5-bromo-4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842452
5-bromo-4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890432
4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612277
6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid
CID 103476106
5-methyl-6-phenyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106482319
6-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103208878
4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842423
5-(2,2,2-trifluoroethoxymethyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 103208776

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (CID 136890424) is 4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is CCc1nc(COCC(F)(F)F)[nH]c(=O)c1C.
What is the InChIKey of 4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is LRKVWOIPIZRGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-3-7-6(2)9(16)15-8(14-7)4-17-5-10(11,12)13/h3-5H2,1-2H3,(H,14,15,16).
What are the key properties of 4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 250.22 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136890424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).