2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine

C81H100Cl4N24O6S4 — CID 161266775

IUPAC2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(SC2CCCCC2)c2[nH]cnc2n1.COc1cc(N2CCOCC2)ccc1Nc1nc(SC2CCCCC2)c2ncn(C3CCCCO3)c2n1.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(SC2CCCCC2)c2[nH]cnc2n1.Clc1nc(SC2CCCCC2)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C27H36N6O3S.C22H28N6O2S.C16H21ClN4OS.C11H13ClN4S.C5H2Cl2N4/c1-34-22-17-19(32-12-15-35-16-13-32)10-11-21(22)29-27-30-25-24(26(31-27)37-20-7-3-2-4-8-20)28-18-33(25)23-9-5-6-14-36-23;1-29-18-13-15(28-9-11-30-12-10-28)7-8-17(18)25-22-26-20-19(23-14-24-20)21(27-22)31-16-5-3-2-4-6-16;17-16-19-14-13(15(20-16)23-11-6-2-1-3-7-11)18-10-21(14)12-8-4-5-9-22-12;12-11-15-9-8(13-6-14-9)10(16-11)17-7-4-2-1-3-5-7;6-3-2-4(9-1-8-2)11-5(7)10-3/h10-11,17-18,20,23H,2-9,12-16H2,1H3,(H,29,30,31);7-8,13-14,16H,2-6,9-12H2,1H3,(H2,23,24,25,26,27);10-12H,1-9H2;6-7H,1-5H2,(H,13,14,15,16);1H,(H,8,9,10,11)
InChIKeyVDHGFRNNTNYGKF-UHFFFAOYSA-N
MW1775.93 g/mol
LogP19.60
Rot. Bonds18

About 2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine

2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine (PubChem CID 161266775) has the molecular formula C81H100Cl4N24O6S4 and a molecular weight of 1775.93 g/mol. Its IUPAC name is 2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine.

Molecular Properties

Compound Name2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine
PubChem CID161266775
Molecular FormulaC81H100Cl4N24O6S4
Molecular Weight1775.93 g/mol
Exact Mass1772.59
IUPAC Name2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(SC2CCCCC2)c2[nH]cnc2n1.COc1cc(N2CCOCC2)ccc1Nc1nc(SC2CCCCC2)c2ncn(C3CCCCO3)c2n1.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(SC2CCCCC2)c2[nH]cnc2n1.Clc1nc(SC2CCCCC2)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C27H36N6O3S.C22H28N6O2S.C16H21ClN4OS.C11H13ClN4S.C5H2Cl2N4/c1-34-22-17-19(32-12-15-35-16-13-32)10-11-21(22)29-27-30-25-24(26(31-27)37-20-7-3-2-4-8-20)28-18-33(25)23-9-5-6-14-36-23;1-29-18-13-15(28-9-11-30-12-10-28)7-8-17(18)25-22-26-20-19(23-14-24-20)21(27-22)31-16-5-3-2-4-6-16;17-16-19-14-13(15(20-16)23-11-6-2-1-3-7-11)18-10-21(14)12-8-4-5-9-22-12;12-11-15-9-8(13-6-14-9)10(16-11)17-7-4-2-1-3-5-7;6-3-2-4(9-1-8-2)11-5(7)10-3/h10-11,17-18,20,23H,2-9,12-16H2,1H3,(H,29,30,31);7-8,13-14,16H,2-6,9-12H2,1H3,(H2,23,24,25,26,27);10-12H,1-9H2;6-7H,1-5H2,(H,13,14,15,16);1H,(H,8,9,10,11)
InChIKeyVDHGFRNNTNYGKF-UHFFFAOYSA-N
XLogP19.60
TPSA336.50 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds18
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001775.93
LogP ≤ 519.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine with MolForge

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Related Compounds

2-chloro-6-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-9-(oxan-4-yl)purine;2,6-dichloro-9-(oxan-4-yl)purine;2-(difluoromethyl)-4-methoxy-1H-benzimidazole;4-[6-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine
CID 157540693
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2-morpholin-4-yl-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]-9-thiophen-3-ylpurin-6-amine
CID 158533874
N-[3-[2-chloro-9-(oxan-2-yl)purin-6-yl]oxyphenyl]prop-2-enamide;2,6-dichloro-9-(oxan-2-yl)purine;N-(3-hydroxyphenyl)prop-2-enamide;methane;N-[3-[9-(oxan-2-yl)-2-[4-(4-propylpiperazin-1-yl)anilino]purin-6-yl]oxyphenyl]prop-2-enamide;4-(4-propylpiperazin-1-yl)aniline;N-[3-[[2-[4-(4-propylpiperazin-1-yl)anilino]-7H-purin-6-yl]oxy]phenyl]prop-2-enamide;hydrochloride
CID 159528946
2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne
CID 159598900
5-chloro-2-N-[4-piperidin-1-yl-2-(trideuteriomethoxy)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-(trideuteriomethoxy)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine;2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-(trideuteriomethoxy)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-(trideuteriomethoxy)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-(trideuteriomethoxy)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 160339449
2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne
CID 160715273
N-[3-[2-chloro-9-(oxan-2-yl)purin-6-yl]oxyphenyl]prop-2-enamide;2,6-dichloro-9-(oxan-2-yl)purine;N-(3-hydroxyphenyl)prop-2-enamide;methane;N-[3-[9-(oxan-2-yl)-2-[4-(4-propylpiperazin-1-yl)anilino]purin-6-yl]oxyphenyl]prop-2-enamide;4-(4-propylpiperazin-1-yl)aniline;N-[3-[[2-[4-(4-propylpiperazin-1-yl)anilino]-7H-purin-6-yl]oxy]phenyl]prop-2-enamide;hydrochloride
CID 160738751
5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline
CID 161377872

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine?
The IUPAC name of 2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine (CID 161266775) is 2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine.
What is the SMILES notation for 2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine?
The canonical SMILES for 2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine is COc1cc(N2CCOCC2)ccc1Nc1nc(SC2CCCCC2)c2[nH]cnc2n1.COc1cc(N2CCOCC2)ccc1Nc1nc(SC2CCCCC2)c2ncn(C3CCCCO3)c2n1.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(SC2CCCCC2)c2[nH]cnc2n1.Clc1nc(SC2CCCCC2)c2ncn(C3CCCCO3)c2n1.
What is the InChIKey of 2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine?
The InChIKey is VDHGFRNNTNYGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O3S.C22H28N6O2S.C16H21ClN4OS.C11H13ClN4S.C5H2Cl2N4/c1-34-22-17-19(32-12-15-35-16-13-32)10-11-21(22)29-27-30-25-24(26(31-27)37-20-7-3-2-4-8-20)28-18-33(25)23-9-5-6-14-36-23;1-29-18-13-15(28-9-11-30-12-10-28)7-8-17(18)25-22-26-20-19(23-14-24-20)21(27-22)31-16-5-3-2-4-6-16;17-16-19-14-13(15(20-16)23-11-6-2-1-3-7-11)18-10-21(14)12-8-4-5-9-22-12;12-11-15-9-8(13-6-14-9)10(16-11)17-7-4-2-1-3-5-7;6-3-2-4(9-1-8-2)11-5(7)10-3/h10-11,17-18,20,23H,2-9,12-16H2,1H3,(H,29,30,31);7-8,13-14,16H,2-6,9-12H2,1H3,(H2,23,24,25,26,27);10-12H,1-9H2;6-7H,1-5H2,(H,13,14,15,16);1H,(H,8,9,10,11).
What are the key properties of 2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine?
2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine has a molecular weight of 1775.93 g/mol, XLogP of 19.60, 18 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclohexylsulfanyl-9-(oxan-2-yl)purine;2-chloro-6-cyclohexylsulfanyl-7H-purine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-2-amine;6-cyclohexylsulfanyl-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-7H-purine is sourced from PubChem (CID 161266775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).