5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine

C18H19Cl2F3N4O — CID 162513974

IUPAC5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine
SMILESCCc1nc(C)nc(N2CCCC(Oc3ncc(C(F)(F)F)cc3Cl)C2)c1Cl
InChIInChI=1S/C18H19Cl2F3N4O/c1-3-14-15(20)16(26-10(2)25-14)27-6-4-5-12(9-27)28-17-13(19)7-11(8-24-17)18(21,22)23/h7-8,12H,3-6,9H2,1-2H3
InChIKeyAGDDXPROKAKQPE-UHFFFAOYSA-N
MW435.28 g/mol
LogP5.12
Rot. Bonds4

About 5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine

5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine (PubChem CID 162513974) has the molecular formula C18H19Cl2F3N4O and a molecular weight of 435.28 g/mol. Its IUPAC name is 5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine
PubChem CID162513974
Molecular FormulaC18H19Cl2F3N4O
Molecular Weight435.28 g/mol
Exact Mass434.09
IUPAC Name5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine
SMILESCCc1nc(C)nc(N2CCCC(Oc3ncc(C(F)(F)F)cc3Cl)C2)c1Cl
InChIInChI=1S/C18H19Cl2F3N4O/c1-3-14-15(20)16(26-10(2)25-14)27-6-4-5-12(9-27)28-17-13(19)7-11(8-24-17)18(21,22)23/h7-8,12H,3-6,9H2,1-2H3
InChIKeyAGDDXPROKAKQPE-UHFFFAOYSA-N
XLogP5.12
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.28
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine with MolForge

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Related Compounds

5-chloro-4-[3-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 162513971
2-[3-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80673381
5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,2-dimethylaziridin-1-yl]-6-ethylpyrimidine
CID 162513941
2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine
CID 163354160
3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
CID 95766117
4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
CID 133446164
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol
CID 70874734
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
CID 118249912
3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 42956348
(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68801517
(1R,5S)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane
CID 118120716
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 55064792

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine?
The IUPAC name of 5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine (CID 162513974) is 5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine.
What is the SMILES notation for 5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine?
The canonical SMILES for 5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine is CCc1nc(C)nc(N2CCCC(Oc3ncc(C(F)(F)F)cc3Cl)C2)c1Cl.
What is the InChIKey of 5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine?
The InChIKey is AGDDXPROKAKQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2F3N4O/c1-3-14-15(20)16(26-10(2)25-14)27-6-4-5-12(9-27)28-17-13(19)7-11(8-24-17)18(21,22)23/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of 5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine?
5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine has a molecular weight of 435.28 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine is sourced from PubChem (CID 162513974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).