5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine

C20H22N4OS — CID 56891176

IUPAC5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine
SMILESc1ccc(COC2CCCN(Cc3cnc(-c4cccs4)nc3)C2)nc1
InChIInChI=1S/C20H22N4OS/c1-2-8-21-17(5-1)15-25-18-6-3-9-24(14-18)13-16-11-22-20(23-12-16)19-7-4-10-26-19/h1-2,4-5,7-8,10-12,18H,3,6,9,13-15H2
InChIKeyGOKJEFCFUFYQOR-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.78
Rot. Bonds6

About 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine

5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine (PubChem CID 56891176) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine
PubChem CID56891176
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine
SMILESc1ccc(COC2CCCN(Cc3cnc(-c4cccs4)nc3)C2)nc1
InChIInChI=1S/C20H22N4OS/c1-2-8-21-17(5-1)15-25-18-6-3-9-24(14-18)13-16-11-22-20(23-12-16)19-7-4-10-26-19/h1-2,4-5,7-8,10-12,18H,3,6,9,13-15H2
InChIKeyGOKJEFCFUFYQOR-UHFFFAOYSA-N
XLogP3.78
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine 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

5-(6-(2-Methoxypropan-2-yl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 53350231
2-{[(1-{[3-(2-Thienyl)-1,2,4-oxadiazol-5-yl]methyl}-3-piperidinyl)oxy]methyl}pyridine
CID 16191598
6-(6-Morpholin-4-ylpyridin-3-ylethynyl)-5-thiophen-2-ylpyrimidin-4-ylamine
CID 44423531
6-(6-Morpholin-4-ylpyridin-3-ylethynyl)-5-thiophen-3-ylpyrimidin-4-ylamine
CID 44423532
5-[6-(3,3-Dimethyloxetan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 70676450
4-(4-Pyridin-4-yl-6-thiophen-2-ylpyrimidin-2-yl)morpholine
CID 44390935
6-Methyl-4-[3-(3-pyridinylmethoxy)-1-piperidinyl]thieno[2,3-d]pyrimidine
CID 70746464
(2R,3aS,7aS)-2-pyrimidin-4-yl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369524
(2S,3aS,7aS)-2-(2-methylpyrimidin-4-yl)-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369750
6-(Pyridin-2-ylmethoxymethyl)-8-(thiophen-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118741038
2-Methyl-4-[4-(3-pyridinylmethoxy)-1-piperidinyl]thieno[2,3-d]pyrimidine
CID 70738861
2-Methoxy-5-{[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl}pyrimidine
CID 131901674

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine?
The IUPAC name of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine (CID 56891176) is 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine.
What is the SMILES notation for 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine?
The canonical SMILES for 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine is c1ccc(COC2CCCN(Cc3cnc(-c4cccs4)nc3)C2)nc1.
What is the InChIKey of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine?
The InChIKey is GOKJEFCFUFYQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-2-8-21-17(5-1)15-25-18-6-3-9-24(14-18)13-16-11-22-20(23-12-16)19-7-4-10-26-19/h1-2,4-5,7-8,10-12,18H,3,6,9,13-15H2.
What are the key properties of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine?
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine has a molecular weight of 366.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine is sourced from PubChem (CID 56891176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).