3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione

C14H18F3N3O4 — CID 146144059

IUPAC3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1cc(C(F)(F)F)c(=O)n(CC(=O)N2CCOC(C)(C)C2)c1=O
InChIInChI=1S/C14H18F3N3O4/c1-13(2)8-19(4-5-24-13)10(21)7-20-11(22)9(14(15,16)17)6-18(3)12(20)23/h6H,4-5,7-8H2,1-3H3
InChIKeyATVYFHIXTDGGTQ-UHFFFAOYSA-N
MW349.31 g/mol
LogP0.20
Rot. Bonds2

About 3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione

3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 146144059) has the molecular formula C14H18F3N3O4 and a molecular weight of 349.31 g/mol. Its IUPAC name is 3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID146144059
Molecular FormulaC14H18F3N3O4
Molecular Weight349.31 g/mol
Exact Mass349.12
IUPAC Name3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1cc(C(F)(F)F)c(=O)n(CC(=O)N2CCOC(C)(C)C2)c1=O
InChIInChI=1S/C14H18F3N3O4/c1-13(2)8-19(4-5-24-13)10(21)7-20-11(22)9(14(15,16)17)6-18(3)12(20)23/h6H,4-5,7-8H2,1-3H3
InChIKeyATVYFHIXTDGGTQ-UHFFFAOYSA-N
XLogP0.20
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide
CID 138011902
1-Ethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 18140224
3-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
CID 18140228
1-Ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 18140272
1-ethyl-3-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 30178561
1-ethyl-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 30178563
5-Methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione
CID 60735155

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 146144059) is 3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione is Cn1cc(C(F)(F)F)c(=O)n(CC(=O)N2CCOC(C)(C)C2)c1=O.
What is the InChIKey of 3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is ATVYFHIXTDGGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O4/c1-13(2)8-19(4-5-24-13)10(21)7-20-11(22)9(14(15,16)17)6-18(3)12(20)23/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 349.31 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 146144059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).