[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone

C26H25F4N5O2 — CID 46082241

IUPAC[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1C(F)(F)F)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1
InChIInChI=1S/C26H25F4N5O2/c27-21-3-1-2-20(26(28,29)30)23(21)24(36)34-10-12-35(13-11-34)25-31-9-8-22(32-25)18-4-6-19(7-5-18)33-14-16-37-17-15-33/h1-9H,10-17H2
InChIKeyRLJMEIYWUXFPDO-UHFFFAOYSA-N
MW515.51 g/mol
LogP4.10
Rot. Bonds4

About [2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone

[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 46082241) has the molecular formula C26H25F4N5O2 and a molecular weight of 515.51 g/mol. Its IUPAC name is [2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID46082241
Molecular FormulaC26H25F4N5O2
Molecular Weight515.51 g/mol
Exact Mass515.19
IUPAC Name[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1C(F)(F)F)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1
InChIInChI=1S/C26H25F4N5O2/c27-21-3-1-2-20(26(28,29)30)23(21)24(36)34-10-12-35(13-11-34)25-31-9-8-22(32-25)18-4-6-19(7-5-18)33-14-16-37-17-15-33/h1-9H,10-17H2
InChIKeyRLJMEIYWUXFPDO-UHFFFAOYSA-N
XLogP4.10
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3,5,6-tetrafluorophenyl)-[4-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46082092
[4-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]-(2,4,5-trifluorophenyl)methanone
CID 46082093
[4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 134153245
[4-fluoro-2-(trifluoromethyl)phenyl]-[4-[7-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46092824
[3,5-bis(trifluoromethyl)phenyl]-[4-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46081996
[3-fluoro-5-(trifluoromethyl)phenyl]-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46081990
(3,4-difluorophenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344401
2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967358
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707486
2-(2-chloro-6-fluorophenyl)-1-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344562
(1-methyl-3-phenylpyrazol-5-yl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344425

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of [2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 46082241) is [2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for [2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone is O=C(c1c(F)cccc1C(F)(F)F)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1.
What is the InChIKey of [2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is RLJMEIYWUXFPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N5O2/c27-21-3-1-2-20(26(28,29)30)23(21)24(36)34-10-12-35(13-11-34)25-31-9-8-22(32-25)18-4-6-19(7-5-18)33-14-16-37-17-15-33/h1-9H,10-17H2.
What are the key properties of [2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 515.51 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 46082241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).