2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane

C27H34F2N4O — CID 143925097

IUPAC2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane
SMILESCC.CCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(C)nc4C)cc3F)CC2)nc1
InChIInChI=1S/C25H28F2N4O.C2H6/c1-4-18-13-28-25(29-14-18)31-9-7-19(8-10-31)15-32-24-22(26)11-20(12-23(24)27)21-6-5-16(2)30-17(21)3;1-2/h5-6,11-14,19H,4,7-10,15H2,1-3H3;1-2H3
InChIKeyDBKVXGDBHCUGCG-UHFFFAOYSA-N
MW468.59 g/mol
LogP6.32
Rot. Bonds6

About 2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane

2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane (PubChem CID 143925097) has the molecular formula C27H34F2N4O and a molecular weight of 468.59 g/mol. Its IUPAC name is 2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane.

Molecular Properties

Compound Name2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane
PubChem CID143925097
Molecular FormulaC27H34F2N4O
Molecular Weight468.59 g/mol
Exact Mass468.27
IUPAC Name2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane
SMILESCC.CCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(C)nc4C)cc3F)CC2)nc1
InChIInChI=1S/C25H28F2N4O.C2H6/c1-4-18-13-28-25(29-14-18)31-9-7-19(8-10-31)15-32-24-22(26)11-20(12-23(24)27)21-6-5-16(2)30-17(21)3;1-2/h5-6,11-14,19H,4,7-10,15H2,1-3H3;1-2H3
InChIKeyDBKVXGDBHCUGCG-UHFFFAOYSA-N
XLogP6.32
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[2,6-difluoro-4-(2-methyl-6-methylsulfonyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 44609177
2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 91114165
1-[4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-3-fluorophenyl]-N-methylmethanimine
CID 142418627
2-[4-[[2,6-difluoro-4-[6-(nitrosomethyl)-3-pyridinyl]phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 143925102
2-[4-[(4-cyclohexyl-2,6-difluorophenoxy)methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 58430258
1-[4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2,6-difluorophenyl]-N-methylmethanimine oxide
CID 142418709
sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride
CID 173054386
2-[4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 44608689
2-[4-[4-(2,6-dimethyl-3-pyridinyl)phenoxy]piperidin-1-yl]-5-ethylpyrimidine
CID 91395356
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-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-N'-[methyl-(methylideneamino)amino]pyridine-2-carboximidamide
CID 89109454
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-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane?
The IUPAC name of 2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane (CID 143925097) is 2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane.
What is the SMILES notation for 2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane?
The canonical SMILES for 2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane is CC.CCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(C)nc4C)cc3F)CC2)nc1.
What is the InChIKey of 2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane?
The InChIKey is DBKVXGDBHCUGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O.C2H6/c1-4-18-13-28-25(29-14-18)31-9-7-19(8-10-31)15-32-24-22(26)11-20(12-23(24)27)21-6-5-16(2)30-17(21)3;1-2/h5-6,11-14,19H,4,7-10,15H2,1-3H3;1-2H3.
What are the key properties of 2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane?
2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane has a molecular weight of 468.59 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane is sourced from PubChem (CID 143925097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).