8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone

C126H125Cl10N29O5S — CID 160529459

IUPAC8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone
SMILESC=C(OC(C)(C)C)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.C=C(OC(C)(C)C)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.CC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.CS(=O)(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.Clc1ccc(-n2c(-c3ccccc3Cl)nc3c(NC4CCCCC4)ncnc32)cc1
InChIInChI=1S/2C28H30Cl2N6O.C24H22Cl2N6O.C23H22Cl2N6O2S.C23H21Cl2N5/c2*1-18(37-28(2,3)4)35-15-7-8-20(16-35)33-25-24-27(32-17-31-25)36(21-13-11-19(29)12-14-21)26(34-24)22-9-5-6-10-23(22)30;1-15(33)31-12-10-17(11-13-31)29-22-21-24(28-14-27-22)32(18-8-6-16(25)7-9-18)23(30-21)19-4-2-3-5-20(19)26;1-34(32,33)30-12-10-16(11-13-30)28-21-20-23(27-14-26-21)31(17-8-6-15(24)7-9-17)22(29-20)18-4-2-3-5-19(18)25;24-15-10-12-17(13-11-15)30-22(18-8-4-5-9-19(18)25)29-20-21(26-14-27-23(20)30)28-16-6-2-1-3-7-16/h2*5-6,9-14,17,20H,1,7-8,15-16H2,2-4H3,(H,31,32,33);2-9,14,17H,10-13H2,1H3,(H,27,28,29);2-9,14,16H,10-13H2,1H3,(H,26,27,28);4-5,8-14,16H,1-3,6-7H2,(H,26,27,28)
InChIKeyQVIOQHFXBJVKGV-UHFFFAOYSA-N
MW2512.18 g/mol
LogP30.27
Rot. Bonds25

About 8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone

8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone (PubChem CID 160529459) has the molecular formula C126H125Cl10N29O5S and a molecular weight of 2512.18 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone
PubChem CID160529459
Molecular FormulaC126H125Cl10N29O5S
Molecular Weight2512.18 g/mol
Exact Mass2505.70
IUPAC Name8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone
SMILESC=C(OC(C)(C)C)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.C=C(OC(C)(C)C)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.CC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.CS(=O)(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.Clc1ccc(-n2c(-c3ccccc3Cl)nc3c(NC4CCCCC4)ncnc32)cc1
InChIInChI=1S/2C28H30Cl2N6O.C24H22Cl2N6O.C23H22Cl2N6O2S.C23H21Cl2N5/c2*1-18(37-28(2,3)4)35-15-7-8-20(16-35)33-25-24-27(32-17-31-25)36(21-13-11-19(29)12-14-21)26(34-24)22-9-5-6-10-23(22)30;1-15(33)31-12-10-17(11-13-31)29-22-21-24(28-14-27-22)32(18-8-6-16(25)7-9-18)23(30-21)19-4-2-3-5-20(19)26;1-34(32,33)30-12-10-16(11-13-30)28-21-20-23(27-14-26-21)31(17-8-6-15(24)7-9-17)22(29-20)18-4-2-3-5-19(18)25;24-15-10-12-17(13-11-15)30-22(18-8-4-5-9-19(18)25)29-20-21(26-14-27-23(20)30)28-16-6-2-1-3-7-16/h2*5-6,9-14,17,20H,1,7-8,15-16H2,2-4H3,(H,31,32,33);2-9,14,17H,10-13H2,1H3,(H,27,28,29);2-9,14,16H,10-13H2,1H3,(H,26,27,28);4-5,8-14,16H,1-3,6-7H2,(H,26,27,28)
InChIKeyQVIOQHFXBJVKGV-UHFFFAOYSA-N
XLogP30.27
TPSA360.78 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds25
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002512.18
LogP ≤ 530.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone
CID 71714625
(3S)-3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide
CID 71459198
8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[[4-(2-methylsulfonylethyl)cyclohexyl]methyl]purin-6-amine
CID 159341706
4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-cyclopentylpiperazine-1-carboxamide
CID 135156347
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-1,1,1-trifluoromethanesulfonamide
CID 72713633
cyclobutyl N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]carbamate
CID 155565779
N-[4-[[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-yl]amino]cyclohexyl]pyridine-3-carboxamide;ethane
CID 154648338
methyl 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(methylamino)piperidine-4-carboxylate
CID 58721700
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3,4-difluorobenzamide
CID 155547150
9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)purin-6-amine
CID 154648300
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea
CID 135156216
tert-butyl (3S)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]piperidine-1-carboxylate
CID 90159413

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone (CID 160529459) is 8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone is C=C(OC(C)(C)C)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.C=C(OC(C)(C)C)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.CC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.CS(=O)(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.Clc1ccc(-n2c(-c3ccccc3Cl)nc3c(NC4CCCCC4)ncnc32)cc1.
What is the InChIKey of 8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is QVIOQHFXBJVKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H30Cl2N6O.C24H22Cl2N6O.C23H22Cl2N6O2S.C23H21Cl2N5/c2*1-18(37-28(2,3)4)35-15-7-8-20(16-35)33-25-24-27(32-17-31-25)36(21-13-11-19(29)12-14-21)26(34-24)22-9-5-6-10-23(22)30;1-15(33)31-12-10-17(11-13-31)29-22-21-24(28-14-27-22)32(18-8-6-16(25)7-9-18)23(30-21)19-4-2-3-5-20(19)26;1-34(32,33)30-12-10-16(11-13-30)28-21-20-23(27-14-26-21)31(17-8-6-15(24)7-9-17)22(29-20)18-4-2-3-5-19(18)25;24-15-10-12-17(13-11-15)30-22(18-8-4-5-9-19(18)25)29-20-21(26-14-27-23(20)30)28-16-6-2-1-3-7-16/h2*5-6,9-14,17,20H,1,7-8,15-16H2,2-4H3,(H,31,32,33);2-9,14,17H,10-13H2,1H3,(H,27,28,29);2-9,14,16H,10-13H2,1H3,(H,26,27,28);4-5,8-14,16H,1-3,6-7H2,(H,26,27,28).
What are the key properties of 8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone?
8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 2512.18 g/mol, XLogP of 30.27, 25 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-yl]purin-6-amine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)purin-6-amine;1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 160529459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).