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

C17H19Cl3N4O — CID 162513971

IUPAC5-chloro-4-[3-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine
SMILESCCc1nc(C)nc(N2CCCC(Oc3ncc(Cl)cc3Cl)C2)c1Cl
InChIInChI=1S/C17H19Cl3N4O/c1-3-14-15(20)16(23-10(2)22-14)24-6-4-5-12(9-24)25-17-13(19)7-11(18)8-21-17/h7-8,12H,3-6,9H2,1-2H3
InChIKeyODJZJKMTHFUWDU-UHFFFAOYSA-N
MW401.73 g/mol
LogP4.75
Rot. Bonds4

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

5-chloro-4-[3-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine (PubChem CID 162513971) has the molecular formula C17H19Cl3N4O and a molecular weight of 401.73 g/mol. Its IUPAC name is 5-chloro-4-[3-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-[3-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine
PubChem CID162513971
Molecular FormulaC17H19Cl3N4O
Molecular Weight401.73 g/mol
Exact Mass400.06
IUPAC Name5-chloro-4-[3-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine
SMILESCCc1nc(C)nc(N2CCCC(Oc3ncc(Cl)cc3Cl)C2)c1Cl
InChIInChI=1S/C17H19Cl3N4O/c1-3-14-15(20)16(23-10(2)22-14)24-6-4-5-12(9-24)25-17-13(19)7-11(18)8-21-17/h7-8,12H,3-6,9H2,1-2H3
InChIKeyODJZJKMTHFUWDU-UHFFFAOYSA-N
XLogP4.75
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.73
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 162513974
3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine
CID 20701175
2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine
CID 172900064
(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol
CID 107225530
5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine
CID 133344752
2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 172899637
5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine
CID 80806982
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133462129
4-[[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 135091123
5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide
CID 95099262
4-chloro-2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidine-5-carbaldehyde
CID 80732072
1-(3,5-dichloro-2-pyridinyl)azepan-4-ol
CID 128509432

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine?
The IUPAC name of 5-chloro-4-[3-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine (CID 162513971) is 5-chloro-4-[3-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine.
What is the SMILES notation for 5-chloro-4-[3-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine?
The canonical SMILES for 5-chloro-4-[3-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine is CCc1nc(C)nc(N2CCCC(Oc3ncc(Cl)cc3Cl)C2)c1Cl.
What is the InChIKey of 5-chloro-4-[3-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine?
The InChIKey is ODJZJKMTHFUWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl3N4O/c1-3-14-15(20)16(23-10(2)22-14)24-6-4-5-12(9-24)25-17-13(19)7-11(18)8-21-17/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of 5-chloro-4-[3-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine?
5-chloro-4-[3-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine has a molecular weight of 401.73 g/mol, XLogP of 4.75, 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-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine is sourced from PubChem (CID 162513971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).