N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine

C26H33N5O — CID 91198410

IUPACN-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine
SMILESCCc1cnc(N2CCC(Oc3ccc(CN(C)c4ccc(C)nc4C)cc3)CC2)nc1
InChIInChI=1S/C26H33N5O/c1-5-21-16-27-26(28-17-21)31-14-12-24(13-15-31)32-23-9-7-22(8-10-23)18-30(4)25-11-6-19(2)29-20(25)3/h6-11,16-17,24H,5,12-15,18H2,1-4H3
InChIKeyACWWYWLNTKPVCP-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.74
Rot. Bonds7

About N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine

N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine (PubChem CID 91198410) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine.

Molecular Properties

Compound NameN-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine
PubChem CID91198410
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC NameN-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine
SMILESCCc1cnc(N2CCC(Oc3ccc(CN(C)c4ccc(C)nc4C)cc3)CC2)nc1
InChIInChI=1S/C26H33N5O/c1-5-21-16-27-26(28-17-21)31-14-12-24(13-15-31)32-23-9-7-22(8-10-23)18-30(4)25-11-6-19(2)29-20(25)3/h6-11,16-17,24H,5,12-15,18H2,1-4H3
InChIKeyACWWYWLNTKPVCP-UHFFFAOYSA-N
XLogP4.74
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine with MolForge

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Related Compounds

2-[4-[4-(2,6-dimethyl-3-pyridinyl)phenoxy]piperidin-1-yl]-5-ethylpyrimidine
CID 91395356
N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2,6-dimethylpyridin-3-amine
CID 91615853
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171700905
5-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-1,3,2-dioxathiane 2,2-dioxide
CID 87429369
5-ethyl-2-[4-[4-[(4-methylsulfinylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine
CID 66874331
5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine
CID 90810331
5-ethyl-2-[4-[4-(2-fluoro-4-methylsulfonylphenyl)phenoxy]piperidin-1-yl]pyrimidine
CID 46200061
4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine
CID 143877131
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine
CID 24732938
2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine
CID 142711209
1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one
CID 67807766

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine?
The IUPAC name of N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine (CID 91198410) is N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine.
What is the SMILES notation for N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine?
The canonical SMILES for N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine is CCc1cnc(N2CCC(Oc3ccc(CN(C)c4ccc(C)nc4C)cc3)CC2)nc1.
What is the InChIKey of N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine?
The InChIKey is ACWWYWLNTKPVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-5-21-16-27-26(28-17-21)31-14-12-24(13-15-31)32-23-9-7-22(8-10-23)18-30(4)25-11-6-19(2)29-20(25)3/h6-11,16-17,24H,5,12-15,18H2,1-4H3.
What are the key properties of N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine?
N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine has a molecular weight of 431.58 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine is sourced from PubChem (CID 91198410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).