2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine

C24H26F2N4O — CID 91114165

IUPAC2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
SMILESCCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(C)nc4)cc3F)CC2)nc1
InChIInChI=1S/C24H26F2N4O/c1-3-17-12-28-24(29-13-17)30-8-6-18(7-9-30)15-31-23-21(25)10-20(11-22(23)26)19-5-4-16(2)27-14-19/h4-5,10-14,18H,3,6-9,15H2,1-2H3
InChIKeyWERLNUDEPBTLHQ-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.98
Rot. Bonds6

About 2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine

2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine (PubChem CID 91114165) has the molecular formula C24H26F2N4O and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
PubChem CID91114165
Molecular FormulaC24H26F2N4O
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
SMILESCCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(C)nc4)cc3F)CC2)nc1
InChIInChI=1S/C24H26F2N4O/c1-3-17-12-28-24(29-13-17)30-8-6-18(7-9-30)15-31-23-21(25)10-20(11-22(23)26)19-5-4-16(2)27-14-19/h4-5,10-14,18H,3,6-9,15H2,1-2H3
InChIKeyWERLNUDEPBTLHQ-UHFFFAOYSA-N
XLogP4.98
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine with MolForge

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Related Compounds

2-[4-[[2,6-difluoro-4-[6-(nitrosomethyl)-3-pyridinyl]phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 143925102
sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride
CID 173054386
2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane
CID 143925097
2-[4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 44608689
1-[4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2,6-difluorophenyl]-N-methylmethanimine oxide
CID 142418709
5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-N'-[methyl-(methylideneamino)amino]pyridine-2-carboximidamide
CID 89109454
2-[4-[(4-cyclohexyl-2,6-difluorophenoxy)methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 58430258
2-[4-[[2,6-difluoro-4-(2-methyl-6-methylsulfonyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 44609177
1-[4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-3-fluorophenyl]-N-methylmethanimine
CID 142418627
1-[2-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-1,3-benzoxazol-5-yl]-N-methylmethanimine
CID 142418595
5-ethyl-2-[4-[[4-(4-ethylcyclohexen-1-yl)-2-fluorophenoxy]methyl]piperidin-1-yl]pyrimidine
CID 135370437
4-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3-fluoro-2-pyridinyl]-2,6-difluorobenzaldehyde
CID 142418722

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine?
The IUPAC name of 2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine (CID 91114165) is 2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine.
What is the SMILES notation for 2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine?
The canonical SMILES for 2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine is CCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(C)nc4)cc3F)CC2)nc1.
What is the InChIKey of 2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine?
The InChIKey is WERLNUDEPBTLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O/c1-3-17-12-28-24(29-13-17)30-8-6-18(7-9-30)15-31-23-21(25)10-20(11-22(23)26)19-5-4-16(2)27-14-19/h4-5,10-14,18H,3,6-9,15H2,1-2H3.
What are the key properties of 2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine?
2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine has a molecular weight of 424.50 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine is sourced from PubChem (CID 91114165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).