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

C12H14F3N3O3 — CID 56862439

IUPAC2-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCOC(C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C12H14F3N3O3/c1-7-16-5-8(11(20)17-7)4-10(19)18-2-3-21-9(6-18)12(13,14)15/h5,9H,2-4,6H2,1H3,(H,16,17,20)
InChIKeyFUBSWKKCDFWVEY-UHFFFAOYSA-N
MW305.26 g/mol
LogP0.41
Rot. Bonds2

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

2-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 56862439) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID56862439
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name2-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCOC(C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C12H14F3N3O3/c1-7-16-5-8(11(20)17-7)4-10(19)18-2-3-21-9(6-18)12(13,14)15/h5,9H,2-4,6H2,1H3,(H,16,17,20)
InChIKeyFUBSWKKCDFWVEY-UHFFFAOYSA-N
XLogP0.41
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 50.41
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
2-isopropyl-5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56874336
2-methyl-5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56869394
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-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549657
2-methyl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549658
2-propan-2-yl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554072
2-propan-2-yl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554073
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one (CID 56862439) is 2-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one is Cc1ncc(CC(=O)N2CCOC(C(F)(F)F)C2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is FUBSWKKCDFWVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-7-16-5-8(11(20)17-7)4-10(19)18-2-3-21-9(6-18)12(13,14)15/h5,9H,2-4,6H2,1H3,(H,16,17,20).
What are the key properties of 2-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one?
2-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 305.26 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 56862439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).