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

C119H113Cl10N29O6S2 — CID 159891445

IUPAC8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.CCCC(=O)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.CS(=O)(=O)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.CS(=O)(=O)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.Clc1ccc(-n2c(-c3ccccc3Cl)nc3c(NC4CCCCC4)ncnc32)cc1
InChIInChI=1S/C26H26Cl2N6O.C24H22Cl2N6O.2C23H22Cl2N6O2S.C23H21Cl2N5/c1-2-6-22(35)33-14-5-7-18(15-33)31-24-23-26(30-16-29-24)34(19-12-10-17(27)11-13-19)25(32-23)20-8-3-4-9-21(20)28;1-15(33)31-12-4-5-17(13-31)29-22-21-24(28-14-27-22)32(18-10-8-16(25)9-11-18)23(30-21)19-6-2-3-7-20(19)26;2*1-34(32,33)30-12-4-5-16(13-30)28-21-20-23(27-14-26-21)31(17-10-8-15(24)9-11-17)22(29-20)18-6-2-3-7-19(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/h3-4,8-13,16,18H,2,5-7,14-15H2,1H3,(H,29,30,31);2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,27,28,29);2*2-3,6-11,14,16H,4-5,12-13H2,1H3,(H,26,27,28);4-5,8-14,16H,1-3,6-7H2,(H,26,27,28)
InChIKeyNUUOQSURXKVXQG-UHFFFAOYSA-N
MW2464.07 g/mol
LogP26.99
Rot. Bonds24

About 8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[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-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone (PubChem CID 159891445) has the molecular formula C119H113Cl10N29O6S2 and a molecular weight of 2464.07 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-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[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-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone
PubChem CID159891445
Molecular FormulaC119H113Cl10N29O6S2
Molecular Weight2464.07 g/mol
Exact Mass2457.58
IUPAC Name8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.CCCC(=O)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.CS(=O)(=O)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.CS(=O)(=O)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.Clc1ccc(-n2c(-c3ccccc3Cl)nc3c(NC4CCCCC4)ncnc32)cc1
InChIInChI=1S/C26H26Cl2N6O.C24H22Cl2N6O.2C23H22Cl2N6O2S.C23H21Cl2N5/c1-2-6-22(35)33-14-5-7-18(15-33)31-24-23-26(30-16-29-24)34(19-12-10-17(27)11-13-19)25(32-23)20-8-3-4-9-21(20)28;1-15(33)31-12-4-5-17(13-31)29-22-21-24(28-14-27-22)32(18-10-8-16(25)9-11-18)23(30-21)19-6-2-3-7-20(19)26;2*1-34(32,33)30-12-4-5-16(13-30)28-21-20-23(27-14-26-21)31(17-10-8-15(24)9-11-17)22(29-20)18-6-2-3-7-19(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/h3-4,8-13,16,18H,2,5-7,14-15H2,1H3,(H,29,30,31);2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,27,28,29);2*2-3,6-11,14,16H,4-5,12-13H2,1H3,(H,26,27,28);4-5,8-14,16H,1-3,6-7H2,(H,26,27,28)
InChIKeyNUUOQSURXKVXQG-UHFFFAOYSA-N
XLogP26.99
TPSA393.53 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms166
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002464.07
LogP ≤ 526.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

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

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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-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[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-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone (CID 159891445) is 8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[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-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[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-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.CCCC(=O)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.CS(=O)(=O)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.CS(=O)(=O)N1CCCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1.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-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is NUUOQSURXKVXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N6O.C24H22Cl2N6O.2C23H22Cl2N6O2S.C23H21Cl2N5/c1-2-6-22(35)33-14-5-7-18(15-33)31-24-23-26(30-16-29-24)34(19-12-10-17(27)11-13-19)25(32-23)20-8-3-4-9-21(20)28;1-15(33)31-12-4-5-17(13-31)29-22-21-24(28-14-27-22)32(18-10-8-16(25)9-11-18)23(30-21)19-6-2-3-7-20(19)26;2*1-34(32,33)30-12-4-5-16(13-30)28-21-20-23(27-14-26-21)31(17-10-8-15(24)9-11-17)22(29-20)18-6-2-3-7-19(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/h3-4,8-13,16,18H,2,5-7,14-15H2,1H3,(H,29,30,31);2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,27,28,29);2*2-3,6-11,14,16H,4-5,12-13H2,1H3,(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-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[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-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 2464.07 g/mol, XLogP of 26.99, 24 rotatable bonds, 5 hydrogen bond donors, and 31 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-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 159891445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).