9-(5-chloropyridazin-3-yl)-6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]purine;4-[4-[9-(5-chloropyridazin-3-yl)-6-methylpurin-2-yl]piperazin-1-yl]phenol;3,5-dichloropyridazine;6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]-7H-purine;4-[4-(6-methyl-7H-purin-2-yl)piperazin-1-yl]phenol

C78H80Cl4N30O2 — CID 165035533

About 9-(5-chloropyridazin-3-yl)-6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]purine;4-[4-[9-(5-chloropyridazin-3-yl)-6-methylpurin-2-yl]piperazin-1-yl]phenol;3,5-dichloropyridazine;6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]-7H-purine;4-[4-(6-methyl-7H-purin-2-yl)piperazin-1-yl]phenol

9-(5-chloropyridazin-3-yl)-6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]purine;4-[4-[9-(5-chloropyridazin-3-yl)-6-methylpurin-2-yl]piperazin-1-yl]phenol;3,5-dichloropyridazine;6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]-7H-purine;4-[4-(6-methyl-7H-purin-2-yl)piperazin-1-yl]phenol (PubChem CID 165035533) has the molecular formula C78H80Cl4N30O2 and a molecular weight of 1611.52 g/mol. Its IUPAC name is 9-(5-chloropyridazin-3-yl)-6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]purine;4-[4-[9-(5-chloropyridazin-3-yl)-6-methylpurin-2-yl]piperazin-1-yl]phenol;3,5-dichloropyridazine;6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]-7H-purine;4-[4-(6-methyl-7H-purin-2-yl)piperazin-1-yl]phenol.

Molecular Properties

• Compound Name: 9-(5-chloropyridazin-3-yl)-6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]purine;4-[4-[9-(5-chloropyridazin-3-yl)-6-methylpurin-2-yl]piperazin-1-yl]phenol;3,5-dichloropyridazine;6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]-7H-purine;4-[4-(6-methyl-7H-purin-2-yl)piperazin-1-yl]phenol
• PubChem CID: 165035533
• Molecular Formula: C78H80Cl4N30O2
• Molecular Weight: 1611.52 g/mol
• Exact Mass: 1608.58
• IUPAC Name: 9-(5-chloropyridazin-3-yl)-6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]purine;4-[4-[9-(5-chloropyridazin-3-yl)-6-methylpurin-2-yl]piperazin-1-yl]phenol;3,5-dichloropyridazine;6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]-7H-purine;4-[4-(6-methyl-7H-purin-2-yl)piperazin-1-yl]phenol
• SMILES: Cc1ccc(N2CCN(c3nc(C)c4[nH]cnc4n3)CC2)cc1.Cc1ccc(N2CCN(c3nc(C)c4ncn(-c5cc(Cl)cnn5)c4n3)CC2)cc1.Cc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1cc(Cl)cnn1.Cc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2nc[nH]c12.Clc1cnnc(Cl)c1
• InChI: InChI=1S/C21H21ClN8.C20H19ClN8O.C17H20N6.C16H18N6O.C4H2Cl2N2/c1-14-3-5-17(6-4-14)28-7-9-29(10-8-28)21-25-15(2)19-20(26-21)30(13-23-19)18-11-16(22)12-24-27-18;1-13-18-19(29(12-22-18)17-10-14(21)11-23-26-17)25-20(24-13)28-8-6-27(7-9-28)15-2-4-16(30)5-3-15;1-12-3-5-14(6-4-12)22-7-9-23(10-8-22)17-20-13(2)15-16(21-17)19-11-18-15;1-11-14-15(18-10-17-14)20-16(19-11)22-8-6-21(7-9-22)12-2-4-13(23)5-3-12;5-3-1-4(6)8-7-2-3/h3-6,11-13H,7-10H2,1-2H3;2-5,10-12,30H,6-9H2,1H3;3-6,11H,7-10H2,1-2H3,(H,18,19,20,21);2-5,10,23H,6-9H2,1H3,(H,17,18,19,20);1-2H
• InChIKey: NIASGENEBVJVRW-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 339.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1611.52
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(5-chloropyridazin-3-yl)-6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]purine;4-[4-[9-(5-chloropyridazin-3-yl)-6-methylpurin-2-yl]piperazin-1-yl]phenol;3,5-dichloropyridazine;6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]-7H-purine;4-[4-(6-methyl-7H-purin-2-yl)piperazin-1-yl]phenol?

The IUPAC name of 9-(5-chloropyridazin-3-yl)-6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]purine;4-[4-[9-(5-chloropyridazin-3-yl)-6-methylpurin-2-yl]piperazin-1-yl]phenol;3,5-dichloropyridazine;6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]-7H-purine;4-[4-(6-methyl-7H-purin-2-yl)piperazin-1-yl]phenol (CID 165035533) is 9-(5-chloropyridazin-3-yl)-6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]purine;4-[4-[9-(5-chloropyridazin-3-yl)-6-methylpurin-2-yl]piperazin-1-yl]phenol;3,5-dichloropyridazine;6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]-7H-purine;4-[4-(6-methyl-7H-purin-2-yl)piperazin-1-yl]phenol.

What is the SMILES notation for 9-(5-chloropyridazin-3-yl)-6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]purine;4-[4-[9-(5-chloropyridazin-3-yl)-6-methylpurin-2-yl]piperazin-1-yl]phenol;3,5-dichloropyridazine;6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]-7H-purine;4-[4-(6-methyl-7H-purin-2-yl)piperazin-1-yl]phenol?

The canonical SMILES for 9-(5-chloropyridazin-3-yl)-6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]purine;4-[4-[9-(5-chloropyridazin-3-yl)-6-methylpurin-2-yl]piperazin-1-yl]phenol;3,5-dichloropyridazine;6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]-7H-purine;4-[4-(6-methyl-7H-purin-2-yl)piperazin-1-yl]phenol is Cc1ccc(N2CCN(c3nc(C)c4[nH]cnc4n3)CC2)cc1.Cc1ccc(N2CCN(c3nc(C)c4ncn(-c5cc(Cl)cnn5)c4n3)CC2)cc1.Cc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1cc(Cl)cnn1.Cc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2nc[nH]c12.Clc1cnnc(Cl)c1.

What is the InChIKey of 9-(5-chloropyridazin-3-yl)-6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]purine;4-[4-[9-(5-chloropyridazin-3-yl)-6-methylpurin-2-yl]piperazin-1-yl]phenol;3,5-dichloropyridazine;6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]-7H-purine;4-[4-(6-methyl-7H-purin-2-yl)piperazin-1-yl]phenol?

The InChIKey is NIASGENEBVJVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN8.C20H19ClN8O.C17H20N6.C16H18N6O.C4H2Cl2N2/c1-14-3-5-17(6-4-14)28-7-9-29(10-8-28)21-25-15(2)19-20(26-21)30(13-23-19)18-11-16(22)12-24-27-18;1-13-18-19(29(12-22-18)17-10-14(21)11-23-26-17)25-20(24-13)28-8-6-27(7-9-28)15-2-4-16(30)5-3-15;1-12-3-5-14(6-4-12)22-7-9-23(10-8-22)17-20-13(2)15-16(21-17)19-11-18-15;1-11-14-15(18-10-17-14)20-16(19-11)22-8-6-21(7-9-22)12-2-4-13(23)5-3-12;5-3-1-4(6)8-7-2-3/h3-6,11-13H,7-10H2,1-2H3;2-5,10-12,30H,6-9H2,1H3;3-6,11H,7-10H2,1-2H3,(H,18,19,20,21);2-5,10,23H,6-9H2,1H3,(H,17,18,19,20);1-2H.

What are the key properties of 9-(5-chloropyridazin-3-yl)-6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]purine;4-[4-[9-(5-chloropyridazin-3-yl)-6-methylpurin-2-yl]piperazin-1-yl]phenol;3,5-dichloropyridazine;6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]-7H-purine;4-[4-(6-methyl-7H-purin-2-yl)piperazin-1-yl]phenol?

9-(5-chloropyridazin-3-yl)-6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]purine;4-[4-[9-(5-chloropyridazin-3-yl)-6-methylpurin-2-yl]piperazin-1-yl]phenol;3,5-dichloropyridazine;6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]-7H-purine;4-[4-(6-methyl-7H-purin-2-yl)piperazin-1-yl]phenol has a molecular weight of 1611.52 g/mol, XLogP of 11.58, 10 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(5-chloropyridazin-3-yl)-6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]purine;4-[4-[9-(5-chloropyridazin-3-yl)-6-methylpurin-2-yl]piperazin-1-yl]phenol;3,5-dichloropyridazine;6-methyl-2-[4-(4-methylphenyl)piperazin-1-yl]-7H-purine;4-[4-(6-methyl-7H-purin-2-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 165035533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).