4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine

C18H21F3N6O — CID 122282533

IUPAC4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1ccc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1
InChIInChI=1S/C18H21F3N6O/c19-18(20,21)14-1-2-15(22-12-14)25-3-5-26(6-4-25)16-11-17(24-13-23-16)27-7-9-28-10-8-27/h1-2,11-13H,3-10H2
InChIKeyMPSAEBOBLCUTIN-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.05
Rot. Bonds3

About 4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 122282533) has the molecular formula C18H21F3N6O and a molecular weight of 394.40 g/mol. Its IUPAC name is 4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID122282533
Molecular FormulaC18H21F3N6O
Molecular Weight394.40 g/mol
Exact Mass394.17
IUPAC Name4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1ccc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1
InChIInChI=1S/C18H21F3N6O/c19-18(20,21)14-1-2-15(22-12-14)25-3-5-26(6-4-25)16-11-17(24-13-23-16)27-7-9-28-10-8-27/h1-2,11-13H,3-10H2
InChIKeyMPSAEBOBLCUTIN-UHFFFAOYSA-N
XLogP2.05
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282517
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
morpholin-4-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 165434630
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
4-[6-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883208
4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine
CID 123818187
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 112857141
1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 2760779
4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154580986
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 122282533) is 4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine is FC(F)(F)c1ccc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1.
What is the InChIKey of 4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is MPSAEBOBLCUTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O/c19-18(20,21)14-1-2-15(22-12-14)25-3-5-26(6-4-25)16-11-17(24-13-23-16)27-7-9-28-10-8-27/h1-2,11-13H,3-10H2.
What are the key properties of 4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 394.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 122282533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).