N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine

C105H113ClN24 — CID 163963765

IUPACN-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(-c3ccccc3)nc(C3CCCNC3)n2)cc1.Cc1ccc(Nc2cc(-c3ccccn3)nc(C3CCCNC3)n2)cc1.Cc1ccc(Nc2cc(-c3cccnc3)nc(C3CCCNC3)n2)cc1.Cc1ccc(Nc2cc(-c3ccncc3)nc(C3CCCNC3)n2)cc1.Clc1cccc(Nc2cc(-c3ccncc3)nc(C3CCCNC3)n2)c1
InChIInChI=1S/C22H24N4.3C21H23N5.C20H20ClN5/c1-16-9-11-19(12-10-16)24-21-14-20(17-6-3-2-4-7-17)25-22(26-21)18-8-5-13-23-15-18;1-15-6-8-18(9-7-15)24-20-12-19(16-4-2-10-22-13-16)25-21(26-20)17-5-3-11-23-14-17;1-15-4-6-18(7-5-15)24-20-13-19(16-8-11-22-12-9-16)25-21(26-20)17-3-2-10-23-14-17;1-15-7-9-17(10-8-15)24-20-13-19(18-6-2-3-12-23-18)25-21(26-20)16-5-4-11-22-14-16;21-16-4-1-5-17(11-16)24-19-12-18(14-6-9-22-10-7-14)25-20(26-19)15-3-2-8-23-13-15/h2-4,6-7,9-12,14,18,23H,5,8,13,15H2,1H3,(H,24,25,26);2,4,6-10,12-13,17,23H,3,5,11,14H2,1H3,(H,24,25,26);4-9,11-13,17,23H,2-3,10,14H2,1H3,(H,24,25,26);2-3,6-10,12-13,16,22H,4-5,11,14H2,1H3,(H,24,25,26);1,4-7,9-12,15,23H,2-3,8,13H2,(H,24,25,26)
InChIKeySJUZPIQJESNNPK-UHFFFAOYSA-N
MW1746.68 g/mol
LogP21.24
Rot. Bonds20

About N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine

N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine (PubChem CID 163963765) has the molecular formula C105H113ClN24 and a molecular weight of 1746.68 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine
PubChem CID163963765
Molecular FormulaC105H113ClN24
Molecular Weight1746.68 g/mol
Exact Mass1744.93
IUPAC NameN-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(-c3ccccc3)nc(C3CCCNC3)n2)cc1.Cc1ccc(Nc2cc(-c3ccccn3)nc(C3CCCNC3)n2)cc1.Cc1ccc(Nc2cc(-c3cccnc3)nc(C3CCCNC3)n2)cc1.Cc1ccc(Nc2cc(-c3ccncc3)nc(C3CCCNC3)n2)cc1.Clc1cccc(Nc2cc(-c3ccncc3)nc(C3CCCNC3)n2)c1
InChIInChI=1S/C22H24N4.3C21H23N5.C20H20ClN5/c1-16-9-11-19(12-10-16)24-21-14-20(17-6-3-2-4-7-17)25-22(26-21)18-8-5-13-23-15-18;1-15-6-8-18(9-7-15)24-20-12-19(16-4-2-10-22-13-16)25-21(26-20)17-5-3-11-23-14-17;1-15-4-6-18(7-5-15)24-20-13-19(16-8-11-22-12-9-16)25-21(26-20)17-3-2-10-23-14-17;1-15-7-9-17(10-8-15)24-20-13-19(18-6-2-3-12-23-18)25-21(26-20)16-5-4-11-22-14-16;21-16-4-1-5-17(11-16)24-19-12-18(14-6-9-22-10-7-14)25-20(26-19)15-3-2-8-23-13-15/h2-4,6-7,9-12,14,18,23H,5,8,13,15H2,1H3,(H,24,25,26);2,4,6-10,12-13,17,23H,3,5,11,14H2,1H3,(H,24,25,26);4-9,11-13,17,23H,2-3,10,14H2,1H3,(H,24,25,26);2-3,6-10,12-13,16,22H,4-5,11,14H2,1H3,(H,24,25,26);1,4-7,9-12,15,23H,2-3,8,13H2,(H,24,25,26)
InChIKeySJUZPIQJESNNPK-UHFFFAOYSA-N
XLogP21.24
TPSA300.76 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001746.68
LogP ≤ 521.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

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CID 5330383
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CID 5330390
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5-(4-{[(2-Chloropyridin-4-yl)methyl]amino}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 11537683
(1r)-N~2~-[5-Chloro-2-(5-Chloropyridin-2-Yl)-6-Methylpyrimidin-4-Yl]-1-Phenyl-N~1~-(4-Phenylbutyl)ethane-1,2-Diamine
CID 71602590
N~1~-(4-{2-[(3-Chlorophenyl)amino]pyrimidin-4-Yl}pyridin-2-Yl)ethane-1,2-Diamine
CID 21948240
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)hexane-1,6-diamine
CID 70682872
N-(7-chloroquinolin-4-yl)-N'-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 70684940
N-(7-chloroquinolin-4-yl)-N'-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine
CID 70684941
N-(7-chloroquinolin-4-yl)-N'-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]propane-1,3-diamine
CID 70684942
N-(7-chloroquinolin-4-yl)-N'-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 70689190
N-(7-chloroquinolin-4-yl)-N'-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]butane-1,4-diamine
CID 70693382

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine (CID 163963765) is N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine is Cc1ccc(Nc2cc(-c3ccccc3)nc(C3CCCNC3)n2)cc1.Cc1ccc(Nc2cc(-c3ccccn3)nc(C3CCCNC3)n2)cc1.Cc1ccc(Nc2cc(-c3cccnc3)nc(C3CCCNC3)n2)cc1.Cc1ccc(Nc2cc(-c3ccncc3)nc(C3CCCNC3)n2)cc1.Clc1cccc(Nc2cc(-c3ccncc3)nc(C3CCCNC3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is SJUZPIQJESNNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4.3C21H23N5.C20H20ClN5/c1-16-9-11-19(12-10-16)24-21-14-20(17-6-3-2-4-7-17)25-22(26-21)18-8-5-13-23-15-18;1-15-6-8-18(9-7-15)24-20-12-19(16-4-2-10-22-13-16)25-21(26-20)17-5-3-11-23-14-17;1-15-4-6-18(7-5-15)24-20-13-19(16-8-11-22-12-9-16)25-21(26-20)17-3-2-10-23-14-17;1-15-7-9-17(10-8-15)24-20-13-19(18-6-2-3-12-23-18)25-21(26-20)16-5-4-11-22-14-16;21-16-4-1-5-17(11-16)24-19-12-18(14-6-9-22-10-7-14)25-20(26-19)15-3-2-8-23-13-15/h2-4,6-7,9-12,14,18,23H,5,8,13,15H2,1H3,(H,24,25,26);2,4,6-10,12-13,17,23H,3,5,11,14H2,1H3,(H,24,25,26);4-9,11-13,17,23H,2-3,10,14H2,1H3,(H,24,25,26);2-3,6-10,12-13,16,22H,4-5,11,14H2,1H3,(H,24,25,26);1,4-7,9-12,15,23H,2-3,8,13H2,(H,24,25,26).
What are the key properties of N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine?
N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 1746.68 g/mol, XLogP of 21.24, 20 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-2-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-3-ylpyrimidin-4-amine;N-(4-methylphenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 163963765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).