5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine

C114H118N16O2S — CID 160852516

IUPAC5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine
SMILESCOc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(CCCc3ccccc3)CC2)c1.Cc1ccc(CN2CCC(c3nc(-c4ccncc4)ncc3-c3cccc(C)c3)CC2)cc1.Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(Cc3cc(C)ccc3O)CC2)c1.Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(Cc3cccs3)CC2)c1
InChIInChI=1S/C30H32N4O.C29H30N4O.C29H30N4.C26H26N4S/c1-35-27-11-5-10-26(21-27)28-22-32-30(25-12-16-31-17-13-25)33-29(28)24-14-19-34(20-15-24)18-6-9-23-7-3-2-4-8-23;1-20-4-3-5-24(16-20)26-18-31-29(23-8-12-30-13-9-23)32-28(26)22-10-14-33(15-11-22)19-25-17-21(2)6-7-27(25)34;1-21-6-8-23(9-7-21)20-33-16-12-24(13-17-33)28-27(26-5-3-4-22(2)18-26)19-31-29(32-28)25-10-14-30-15-11-25;1-19-4-2-5-22(16-19)24-17-28-26(21-7-11-27-12-8-21)29-25(24)20-9-13-30(14-10-20)18-23-6-3-15-31-23/h2-5,7-8,10-13,16-17,21-22,24H,6,9,14-15,18-20H2,1H3;3-9,12-13,16-18,22,34H,10-11,14-15,19H2,1-2H3;3-11,14-15,18-19,24H,12-13,16-17,20H2,1-2H3;2-8,11-12,15-17,20H,9-10,13-14,18H2,1H3
InChIKeySJLDBOSEBOCFFQ-UHFFFAOYSA-N
MW1776.37 g/mol
LogP24.09
Rot. Bonds23

About 5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine

5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine (PubChem CID 160852516) has the molecular formula C114H118N16O2S and a molecular weight of 1776.37 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine
PubChem CID160852516
Molecular FormulaC114H118N16O2S
Molecular Weight1776.37 g/mol
Exact Mass1774.93
IUPAC Name5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine
SMILESCOc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(CCCc3ccccc3)CC2)c1.Cc1ccc(CN2CCC(c3nc(-c4ccncc4)ncc3-c3cccc(C)c3)CC2)cc1.Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(Cc3cc(C)ccc3O)CC2)c1.Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(Cc3cccs3)CC2)c1
InChIInChI=1S/C30H32N4O.C29H30N4O.C29H30N4.C26H26N4S/c1-35-27-11-5-10-26(21-27)28-22-32-30(25-12-16-31-17-13-25)33-29(28)24-14-19-34(20-15-24)18-6-9-23-7-3-2-4-8-23;1-20-4-3-5-24(16-20)26-18-31-29(23-8-12-30-13-9-23)32-28(26)22-10-14-33(15-11-22)19-25-17-21(2)6-7-27(25)34;1-21-6-8-23(9-7-21)20-33-16-12-24(13-17-33)28-27(26-5-3-4-22(2)18-26)19-31-29(32-28)25-10-14-30-15-11-25;1-19-4-2-5-22(16-19)24-17-28-26(21-7-11-27-12-8-21)29-25(24)20-9-13-30(14-10-20)18-23-6-3-15-31-23/h2-5,7-8,10-13,16-17,21-22,24H,6,9,14-15,18-20H2,1H3;3-9,12-13,16-18,22,34H,10-11,14-15,19H2,1-2H3;3-11,14-15,18-19,24H,12-13,16-17,20H2,1-2H3;2-8,11-12,15-17,20H,9-10,13-14,18H2,1H3
InChIKeySJLDBOSEBOCFFQ-UHFFFAOYSA-N
XLogP24.09
TPSA197.10 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001776.37
LogP ≤ 524.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine with MolForge

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Related Compounds

1-Cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene
CID 159950319
1-Cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene
CID 161851264
5-(3-Methoxyphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine
CID 26274870
5-(3-Methoxyphenyl)-2-(4-pyridinyl)-4-[1-(3-thienylmethyl)-4-piperidinyl]pyrimidine
CID 42421747
5-(3-Methoxyphenyl)-4-{1-[(3-methyl-2-thienyl)methyl]-4-piperidinyl}-2-(4-pyridinyl)pyrimidine
CID 90058283
5-(3-Methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methoxyphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine
CID 157215508
N-[1-(cyclohexen-1-ylmethyl)piperidin-4-yl]-N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-4-pentylbenzamide;N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide;N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide
CID 157518895
1-Tert-butyl-4-(3,3-dimethylbutan-2-yl)benzene;2-tert-butyl-5-(3,3-dimethylbutan-2-yl)thiophene;1-tert-butyl-2-(2,2-dimethylpropyl)benzene;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-tert-butyl-3-(2,2-dimethylpropyl)-5-propan-2-yloxybenzene;2-tert-butyl-5-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-5-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)thiophene;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzene;methane
CID 157690117
2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane
CID 158017896
1-[3-[[4-[5-(2,4-Dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
CID 158189206
3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine
CID 158349561
CID 158391622
CID 158391622

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine?
The IUPAC name of 5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine (CID 160852516) is 5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine.
What is the SMILES notation for 5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine?
The canonical SMILES for 5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine is COc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(CCCc3ccccc3)CC2)c1.Cc1ccc(CN2CCC(c3nc(-c4ccncc4)ncc3-c3cccc(C)c3)CC2)cc1.Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(Cc3cc(C)ccc3O)CC2)c1.Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(Cc3cccs3)CC2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine?
The InChIKey is SJLDBOSEBOCFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O.C29H30N4O.C29H30N4.C26H26N4S/c1-35-27-11-5-10-26(21-27)28-22-32-30(25-12-16-31-17-13-25)33-29(28)24-14-19-34(20-15-24)18-6-9-23-7-3-2-4-8-23;1-20-4-3-5-24(16-20)26-18-31-29(23-8-12-30-13-9-23)32-28(26)22-10-14-33(15-11-22)19-25-17-21(2)6-7-27(25)34;1-21-6-8-23(9-7-21)20-33-16-12-24(13-17-33)28-27(26-5-3-4-22(2)18-26)19-31-29(32-28)25-10-14-30-15-11-25;1-19-4-2-5-22(16-19)24-17-28-26(21-7-11-27-12-8-21)29-25(24)20-9-13-30(14-10-20)18-23-6-3-15-31-23/h2-5,7-8,10-13,16-17,21-22,24H,6,9,14-15,18-20H2,1H3;3-9,12-13,16-18,22,34H,10-11,14-15,19H2,1-2H3;3-11,14-15,18-19,24H,12-13,16-17,20H2,1-2H3;2-8,11-12,15-17,20H,9-10,13-14,18H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine?
5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine has a molecular weight of 1776.37 g/mol, XLogP of 24.09, 23 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine is sourced from PubChem (CID 160852516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).