2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine

C19H27F3N6O — CID 133338587

IUPAC2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine
SMILESCC1CN(CCC2CCN(c3cc(C(F)(F)F)nc4ncnn34)CC2)CC(C)O1
InChIInChI=1S/C19H27F3N6O/c1-13-10-26(11-14(2)29-13)6-3-15-4-7-27(8-5-15)17-9-16(19(20,21)22)25-18-23-12-24-28(17)18/h9,12-15H,3-8,10-11H2,1-2H3
InChIKeyGTYSWOZRDMLHMI-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.86
Rot. Bonds4

About 2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine

2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine (PubChem CID 133338587) has the molecular formula C19H27F3N6O and a molecular weight of 412.46 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine
PubChem CID133338587
Molecular FormulaC19H27F3N6O
Molecular Weight412.46 g/mol
Exact Mass412.22
IUPAC Name2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine
SMILESCC1CN(CCC2CCN(c3cc(C(F)(F)F)nc4ncnn34)CC2)CC(C)O1
InChIInChI=1S/C19H27F3N6O/c1-13-10-26(11-14(2)29-13)6-3-15-4-7-27(8-5-15)17-9-16(19(20,21)22)25-18-23-12-24-28(17)18/h9,12-15H,3-8,10-11H2,1-2H3
InChIKeyGTYSWOZRDMLHMI-UHFFFAOYSA-N
XLogP2.86
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
CID 56814951
2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine
CID 133338567
7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133274321
7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133316057
(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 124890056
3-methyl-8-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 127742253
4-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338581
7-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114800712
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 33386676
5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 98362552
N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133398525
4-[2-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338682

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 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) is 2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine is CC1CN(CCC2CCN(c3cc(C(F)(F)F)nc4ncnn34)CC2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine?
The InChIKey is GTYSWOZRDMLHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N6O/c1-13-10-26(11-14(2)29-13)6-3-15-4-7-27(8-5-15)17-9-16(19(20,21)22)25-18-23-12-24-28(17)18/h9,12-15H,3-8,10-11H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine?
2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine has a molecular weight of 412.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 133338587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).