1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid

C16H21F3N4O5 — CID 155842670

IUPAC1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCOCC1c1nccc(N2CCOCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O3.C2HF3O2/c1-11(19)18-6-9-21-10-12(18)14-15-3-2-13(16-14)17-4-7-20-8-5-17;3-2(4,5)1(6)7/h2-3,12H,4-10H2,1H3;(H,6,7)
InChIKeyGLUQDIRXJDWFDC-UHFFFAOYSA-N
MW406.36 g/mol
LogP0.87
Rot. Bonds2

About 1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid

1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 155842670) has the molecular formula C16H21F3N4O5 and a molecular weight of 406.36 g/mol. Its IUPAC name is 1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID155842670
Molecular FormulaC16H21F3N4O5
Molecular Weight406.36 g/mol
Exact Mass406.15
IUPAC Name1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCOCC1c1nccc(N2CCOCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O3.C2HF3O2/c1-11(19)18-6-9-21-10-12(18)14-15-3-2-13(16-14)17-4-7-20-8-5-17;3-2(4,5)1(6)7/h2-3,12H,4-10H2,1H3;(H,6,7)
InChIKeyGLUQDIRXJDWFDC-UHFFFAOYSA-N
XLogP0.87
TPSA105.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155827817
1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97487080
4-[(3-methoxyphenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155826620
[3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 131642541
2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97485841
[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155843494
2-(4-cyclopentylmorpholin-3-yl)-N-propan-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155840555
N-cyclobutyl-2-[4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 171695745
4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine
CID 131640087
(3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide
CID 97487508
N-cyclopentyl-2-[4-(oxan-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155846866
2-(4-cyclopropylsulfonylmorpholin-3-yl)-N-(2-methoxyethyl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 155836444

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid (CID 155842670) is 1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid is CC(=O)N1CCOCC1c1nccc(N2CCOCC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is GLUQDIRXJDWFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3.C2HF3O2/c1-11(19)18-6-9-21-10-12(18)14-15-3-2-13(16-14)17-4-7-20-8-5-17;3-2(4,5)1(6)7/h2-3,12H,4-10H2,1H3;(H,6,7).
What are the key properties of 1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid?
1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 406.36 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155842670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).