2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one

C15H20F3N3O3 — CID 163307660

IUPAC2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(CC(=O)N2CCC(OC(F)(F)F)CC2)c(=O)[nH]1
InChIInChI=1S/C15H20F3N3O3/c1-3-12-19-9(2)11(14(23)20-12)8-13(22)21-6-4-10(5-7-21)24-15(16,17)18/h10H,3-8H2,1-2H3,(H,19,20,23)
InChIKeyBQHAKDKXEJMINE-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.71
Rot. Bonds4

About 2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one

2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 163307660) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID163307660
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(CC(=O)N2CCC(OC(F)(F)F)CC2)c(=O)[nH]1
InChIInChI=1S/C15H20F3N3O3/c1-3-12-19-9(2)11(14(23)20-12)8-13(22)21-6-4-10(5-7-21)24-15(16,17)18/h10H,3-8H2,1-2H3,(H,19,20,23)
InChIKeyBQHAKDKXEJMINE-UHFFFAOYSA-N
XLogP1.71
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-5-{2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl}pyrimidin-4(3H)-one
CID 136147249
5-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 137295740
2-ethyl-6-methyl-5-{2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl}pyrimidin-4(3H)-one
CID 136015656
2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 136858381
2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 136858382
2-ethyl-4-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 136883852
2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 136883853
2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one
CID 170353550
2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide
CID 170353610
2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
CID 135896945
2,4-dimethyl-5-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-1H-pyrimidin-6-one
CID 136044749
2,4-dimethyl-5-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136051594

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one (CID 163307660) is 2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one is CCc1nc(C)c(CC(=O)N2CCC(OC(F)(F)F)CC2)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is BQHAKDKXEJMINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-3-12-19-9(2)11(14(23)20-12)8-13(22)21-6-4-10(5-7-21)24-15(16,17)18/h10H,3-8H2,1-2H3,(H,19,20,23).
What are the key properties of 2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 347.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 163307660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).