2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine

C23H30F3N5O — CID 133338567

IUPAC2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine
SMILESCC1CN(CCC2CCN(c3cc(C(F)(F)F)nc(-c4ccccn4)n3)CC2)CC(C)O1
InChIInChI=1S/C23H30F3N5O/c1-16-14-30(15-17(2)32-16)10-6-18-7-11-31(12-8-18)21-13-20(23(24,25)26)28-22(29-21)19-5-3-4-9-27-19/h3-5,9,13,16-18H,6-8,10-12,14-15H2,1-2H3
InChIKeyUDBZQGSDKFEFEX-UHFFFAOYSA-N
MW449.52 g/mol
LogP4.27
Rot. Bonds5

About 2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine

2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine (PubChem CID 133338567) has the molecular formula C23H30F3N5O and a molecular weight of 449.52 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine
PubChem CID133338567
Molecular FormulaC23H30F3N5O
Molecular Weight449.52 g/mol
Exact Mass449.24
IUPAC Name2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine
SMILESCC1CN(CCC2CCN(c3cc(C(F)(F)F)nc(-c4ccccn4)n3)CC2)CC(C)O1
InChIInChI=1S/C23H30F3N5O/c1-16-14-30(15-17(2)32-16)10-6-18-7-11-31(12-8-18)21-13-20(23(24,25)26)28-22(29-21)19-5-3-4-9-27-19/h3-5,9,13,16-18H,6-8,10-12,14-15H2,1-2H3
InChIKeyUDBZQGSDKFEFEX-UHFFFAOYSA-N
XLogP4.27
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine
CID 86900427
2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine
CID 133338587
2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 133354297
4-[2-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338682
1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol
CID 86900405
4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
CID 155901264
4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338553
1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 124615419
(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 124890056
3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 124515157
3-phenyl-7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 133327608
4-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338581

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine (CID 133338567) is 2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine is CC1CN(CCC2CCN(c3cc(C(F)(F)F)nc(-c4ccccn4)n3)CC2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine?
The InChIKey is UDBZQGSDKFEFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O/c1-16-14-30(15-17(2)32-16)10-6-18-7-11-31(12-8-18)21-13-20(23(24,25)26)28-22(29-21)19-5-3-4-9-27-19/h3-5,9,13,16-18H,6-8,10-12,14-15H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine?
2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine has a molecular weight of 449.52 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 133338567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).