2-chloro-9-(5-chloropyridazin-3-yl)-6-methylpurine;2-chloro-6-methyl-7H-purine;3,5-dichloropyridazine;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol

C60H59Cl5N24O3 — CID 165100123

About 2-chloro-9-(5-chloropyridazin-3-yl)-6-methylpurine;2-chloro-6-methyl-7H-purine;3,5-dichloropyridazine;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol

2-chloro-9-(5-chloropyridazin-3-yl)-6-methylpurine;2-chloro-6-methyl-7H-purine;3,5-dichloropyridazine;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol (PubChem CID 165100123) has the molecular formula C60H59Cl5N24O3 and a molecular weight of 1341.56 g/mol. Its IUPAC name is 2-chloro-9-(5-chloropyridazin-3-yl)-6-methylpurine;2-chloro-6-methyl-7H-purine;3,5-dichloropyridazine;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol.

Molecular Properties

• Compound Name: 2-chloro-9-(5-chloropyridazin-3-yl)-6-methylpurine;2-chloro-6-methyl-7H-purine;3,5-dichloropyridazine;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol
• PubChem CID: 165100123
• Molecular Formula: C60H59Cl5N24O3
• Molecular Weight: 1341.56 g/mol
• Exact Mass: 1338.36
• IUPAC Name: 2-chloro-9-(5-chloropyridazin-3-yl)-6-methylpurine;2-chloro-6-methyl-7H-purine;3,5-dichloropyridazine;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol
• SMILES: Cc1nc(Cl)nc2c1ncn2-c1cc(Cl)cnn1.Cc1nc(Cl)nc2nc[nH]c12.Cc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1cc(N2CCN(c3ccc(O)cc3)CC2)cnn1.Clc1cnnc(Cl)c1.Oc1ccc(N2CCNCC2)cc1
• InChI: InChI=1S/C30H32N10O2.C10H6Cl2N6.C10H14N2O.C6H5ClN4.C4H2Cl2N2/c1-21-28-29(34-30(33-21)39-16-14-37(15-17-39)23-4-8-26(42)9-5-23)40(20-31-28)27-18-24(19-32-35-27)38-12-10-36(11-13-38)22-2-6-25(41)7-3-22;1-5-8-9(16-10(12)15-5)18(4-13-8)7-2-6(11)3-14-17-7;13-10-3-1-9(2-4-10)12-7-5-11-6-8-12;1-3-4-5(9-2-8-4)11-6(7)10-3;5-3-1-4(6)8-7-2-3/h2-9,18-20,41-42H,10-17H2,1H3;2-4H,1H3;1-4,11,13H,5-8H2;2H,1H3,(H,8,9,10,11);1-2H
• InChIKey: YEKPKMIZDSUVFD-UHFFFAOYSA-N
• XLogP: 9.10
• TPSA: 307.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 7
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1341.56
LogP ≤ 5	9.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 2-chloro-9-(5-chloropyridazin-3-yl)-6-methylpurine;2-chloro-6-methyl-7H-purine;3,5-dichloropyridazine;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol (CID 165100123) is 2-chloro-9-(5-chloropyridazin-3-yl)-6-methylpurine;2-chloro-6-methyl-7H-purine;3,5-dichloropyridazine;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol.

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

The canonical SMILES for 2-chloro-9-(5-chloropyridazin-3-yl)-6-methylpurine;2-chloro-6-methyl-7H-purine;3,5-dichloropyridazine;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol is Cc1nc(Cl)nc2c1ncn2-c1cc(Cl)cnn1.Cc1nc(Cl)nc2nc[nH]c12.Cc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1cc(N2CCN(c3ccc(O)cc3)CC2)cnn1.Clc1cnnc(Cl)c1.Oc1ccc(N2CCNCC2)cc1.

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

The InChIKey is YEKPKMIZDSUVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N10O2.C10H6Cl2N6.C10H14N2O.C6H5ClN4.C4H2Cl2N2/c1-21-28-29(34-30(33-21)39-16-14-37(15-17-39)23-4-8-26(42)9-5-23)40(20-31-28)27-18-24(19-32-35-27)38-12-10-36(11-13-38)22-2-6-25(41)7-3-22;1-5-8-9(16-10(12)15-5)18(4-13-8)7-2-6(11)3-14-17-7;13-10-3-1-9(2-4-10)12-7-5-11-6-8-12;1-3-4-5(9-2-8-4)11-6(7)10-3;5-3-1-4(6)8-7-2-3/h2-9,18-20,41-42H,10-17H2,1H3;2-4H,1H3;1-4,11,13H,5-8H2;2H,1H3,(H,8,9,10,11);1-2H.

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

2-chloro-9-(5-chloropyridazin-3-yl)-6-methylpurine;2-chloro-6-methyl-7H-purine;3,5-dichloropyridazine;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol has a molecular weight of 1341.56 g/mol, XLogP of 9.10, 7 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-9-(5-chloropyridazin-3-yl)-6-methylpurine;2-chloro-6-methyl-7H-purine;3,5-dichloropyridazine;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol is sourced from PubChem (CID 165100123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).