3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione

C12H14F3N3O4 — CID 56877860

IUPAC3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCOC(C(F)(F)F)C2)c1=O
InChIInChI=1S/C12H14F3N3O4/c1-17-10(20)7(5-16-11(17)21)4-9(19)18-2-3-22-8(6-18)12(13,14)15/h5,8H,2-4,6H2,1H3,(H,16,21)
InChIKeyQESIZIBRYAHLBR-UHFFFAOYSA-N
MW321.26 g/mol
LogP-0.59
Rot. Bonds2

About 3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 56877860) has the molecular formula C12H14F3N3O4 and a molecular weight of 321.26 g/mol. Its IUPAC name is 3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID56877860
Molecular FormulaC12H14F3N3O4
Molecular Weight321.26 g/mol
Exact Mass321.09
IUPAC Name3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCOC(C(F)(F)F)C2)c1=O
InChIInChI=1S/C12H14F3N3O4/c1-17-10(20)7(5-16-11(17)21)4-9(19)18-2-3-22-8(6-18)12(13,14)15/h5,8H,2-4,6H2,1H3,(H,16,21)
InChIKeyQESIZIBRYAHLBR-UHFFFAOYSA-N
XLogP-0.59
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(6-hydroxy-1,4-oxazepan-4-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 70734355
3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 163315541
2-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 74223793
2-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95724984
2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 168940341
3-methyl-5-[2-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 118790380
5-[2-[(3S)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 95208373
1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 56870900
5-[2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 133124600
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529
3-methyl-5-[2-oxo-2-[3-(2-phenylacetyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 70758226
5-[2-[(3S)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 99951880

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 56877860) is 3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(CC(=O)N2CCOC(C(F)(F)F)C2)c1=O.
What is the InChIKey of 3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QESIZIBRYAHLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O4/c1-17-10(20)7(5-16-11(17)21)4-9(19)18-2-3-22-8(6-18)12(13,14)15/h5,8H,2-4,6H2,1H3,(H,16,21).
What are the key properties of 3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 321.26 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56877860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).