9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine

C26H26Cl3N6O- — CID 164738475

IUPAC9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine
SMILESCC1(C)CC(Nc2ncnc3c2nc(-c2ccc(Cl)cc2Cl)n3-c2ccc(Cl)cc2)CC(C)(C)N1[O-]
InChIInChI=1S/C26H26Cl3N6O/c1-25(2)12-17(13-26(3,4)35(25)36)32-22-21-24(31-14-30-22)34(18-8-5-15(27)6-9-18)23(33-21)19-10-7-16(28)11-20(19)29/h5-11,14,17H,12-13H2,1-4H3,(H,30,31,32)/q-1
InChIKeyOWFSHTXLHDRNQT-UHFFFAOYSA-N
MW544.89 g/mol
LogP7.37
Rot. Bonds4

About 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine

9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine (PubChem CID 164738475) has the molecular formula C26H26Cl3N6O- and a molecular weight of 544.89 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine.

Molecular Properties

Compound Name9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine
PubChem CID164738475
Molecular FormulaC26H26Cl3N6O-
Molecular Weight544.89 g/mol
Exact Mass543.12
IUPAC Name9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine
SMILESCC1(C)CC(Nc2ncnc3c2nc(-c2ccc(Cl)cc2Cl)n3-c2ccc(Cl)cc2)CC(C)(C)N1[O-]
InChIInChI=1S/C26H26Cl3N6O/c1-25(2)12-17(13-26(3,4)35(25)36)32-22-21-24(31-14-30-22)34(18-8-5-15(27)6-9-18)23(33-21)19-10-7-16(28)11-20(19)29/h5-11,14,17H,12-13H2,1-4H3,(H,30,31,32)/q-1
InChIKeyOWFSHTXLHDRNQT-UHFFFAOYSA-N
XLogP7.37
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.89
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine with MolForge

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Related Compounds

9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)purin-6-amine
CID 154648300
N-[4-[[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-yl]amino]cyclohexyl]pyridine-3-carboxamide;ethane
CID 154648338
1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone
CID 71714625
ethyl 2-[[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-yl]amino]acetate
CID 154648289
2-[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-yl]-N-ethylpropan-2-amine
CID 69403255
(3S)-3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide
CID 71459198
1-[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-yl]-4-(propan-2-ylamino)piperidine-4-carboxamide
CID 58721773
N-[[4-[[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]methyl]cyclohexyl]methyl]methanesulfonamide
CID 71714623
9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-amine;cyclobutane;N-ethylpyridine-3-carboxamide
CID 154648331
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
1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidine-4-carboxamide
CID 143942385

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine?
The IUPAC name of 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine (CID 164738475) is 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine.
What is the SMILES notation for 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine?
The canonical SMILES for 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine is CC1(C)CC(Nc2ncnc3c2nc(-c2ccc(Cl)cc2Cl)n3-c2ccc(Cl)cc2)CC(C)(C)N1[O-].
What is the InChIKey of 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine?
The InChIKey is OWFSHTXLHDRNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl3N6O/c1-25(2)12-17(13-26(3,4)35(25)36)32-22-21-24(31-14-30-22)34(18-8-5-15(27)6-9-18)23(33-21)19-10-7-16(28)11-20(19)29/h5-11,14,17H,12-13H2,1-4H3,(H,30,31,32)/q-1.
What are the key properties of 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine?
9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine has a molecular weight of 544.89 g/mol, XLogP of 7.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)purin-6-amine is sourced from PubChem (CID 164738475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).