2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one

C13H16F3N3O3 — CID 136858381

IUPAC2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCO[C@H](C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C13H16F3N3O3/c1-7-9(12(21)18-8(2)17-7)5-11(20)19-3-4-22-10(6-19)13(14,15)16/h10H,3-6H2,1-2H3,(H,17,18,21)/t10-/m0/s1
InChIKeyMBBCOYCFIMDVER-JTQLQIEISA-N
MW319.28 g/mol
LogP0.72
Rot. Bonds2

About 2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 136858381) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID136858381
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCO[C@H](C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C13H16F3N3O3/c1-7-9(12(21)18-8(2)17-7)5-11(20)19-3-4-22-10(6-19)13(14,15)16/h10H,3-6H2,1-2H3,(H,17,18,21)/t10-/m0/s1
InChIKeyMBBCOYCFIMDVER-JTQLQIEISA-N
XLogP0.72
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one with MolForge

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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-methyl-5-{2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl}pyrimidin-4(3H)-one
CID 56862439
2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
CID 136849634
2-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 74223793
2-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 95402827
2-ethyl-6-methyl-5-{2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl}pyrimidin-4(3H)-one
CID 136015656
2,4-dimethyl-5-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]-1H-pyrimidin-6-one
CID 136148420
5-[1-[2-(2,2-difluoroethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136852734
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

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one (CID 136858381) is 2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one is Cc1nc(C)c(CC(=O)N2CCO[C@H](C(F)(F)F)C2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is MBBCOYCFIMDVER-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-7-9(12(21)18-8(2)17-7)5-11(20)19-3-4-22-10(6-19)13(14,15)16/h10H,3-6H2,1-2H3,(H,17,18,21)/t10-/m0/s1.
What are the key properties of 2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 319.28 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136858381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).