2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine

C113H127ClN24O8 — CID 158793460

IUPAC2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine
SMILESCC1(C)Cc2cccc(Oc3nc(Nc4ccc(N5CCOCC5)cc4)c4ncn(C5CCCCC5)c4n3)c2O1.Clc1nc(Nc2ccc(N3CCOCC3)cc2)c2ncn(C3CCCCC3)c2n1.c1cc(N2CCOCC2)ccc1Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2C1CCCCC1.c1ccc2c(Oc3nc(Nc4ccc(N5CCOCC5)cc4)c4ncn(C5CCCCC5)c4n3)cccc2c1
InChIInChI=1S/C31H36N6O3.C31H32N6O2.C30H34N6O2.C21H25ClN6O/c1-31(2)19-21-7-6-10-25(27(21)40-31)39-30-34-28(26-29(35-30)37(20-32-26)24-8-4-3-5-9-24)33-22-11-13-23(14-12-22)36-15-17-38-18-16-36;1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27;1-2-7-25(8-3-1)36-20-31-27-28(32-23-10-12-24(13-11-23)35-15-17-37-18-16-35)33-30(34-29(27)36)38-26-14-9-21-5-4-6-22(21)19-26;22-21-25-19(18-20(26-21)28(14-23-18)17-4-2-1-3-5-17)24-15-6-8-16(9-7-15)27-10-12-29-13-11-27/h6-7,10-14,20,24H,3-5,8-9,15-19H2,1-2H3,(H,33,34,35);4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35);9-14,19-20,25H,1-8,15-18H2,(H,32,33,34);6-9,14,17H,1-5,10-13H2,(H,24,25,26)
InChIKeyISOMEFOYOBSJKZ-UHFFFAOYSA-N
MW1984.87 g/mol
LogP24.03
Rot. Bonds22

About 2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine

2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine (PubChem CID 158793460) has the molecular formula C113H127ClN24O8 and a molecular weight of 1984.87 g/mol. Its IUPAC name is 2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine.

Molecular Properties

Compound Name2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine
PubChem CID158793460
Molecular FormulaC113H127ClN24O8
Molecular Weight1984.87 g/mol
Exact Mass1983.00
IUPAC Name2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine
SMILESCC1(C)Cc2cccc(Oc3nc(Nc4ccc(N5CCOCC5)cc4)c4ncn(C5CCCCC5)c4n3)c2O1.Clc1nc(Nc2ccc(N3CCOCC3)cc2)c2ncn(C3CCCCC3)c2n1.c1cc(N2CCOCC2)ccc1Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2C1CCCCC1.c1ccc2c(Oc3nc(Nc4ccc(N5CCOCC5)cc4)c4ncn(C5CCCCC5)c4n3)cccc2c1
InChIInChI=1S/C31H36N6O3.C31H32N6O2.C30H34N6O2.C21H25ClN6O/c1-31(2)19-21-7-6-10-25(27(21)40-31)39-30-34-28(26-29(35-30)37(20-32-26)24-8-4-3-5-9-24)33-22-11-13-23(14-12-22)36-15-17-38-18-16-36;1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27;1-2-7-25(8-3-1)36-20-31-27-28(32-23-10-12-24(13-11-23)35-15-17-37-18-16-35)33-30(34-29(27)36)38-26-14-9-21-5-4-6-22(21)19-26;22-21-25-19(18-20(26-21)28(14-23-18)17-4-2-1-3-5-17)24-15-6-8-16(9-7-15)27-10-12-29-13-11-27/h6-7,10-14,20,24H,3-5,8-9,15-19H2,1-2H3,(H,33,34,35);4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35);9-14,19-20,25H,1-8,15-18H2,(H,32,33,34);6-9,14,17H,1-5,10-13H2,(H,24,25,26)
InChIKeyISOMEFOYOBSJKZ-UHFFFAOYSA-N
XLogP24.03
TPSA309.32 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds22
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001984.87
LogP ≤ 524.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine with MolForge

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Related Compounds

9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine
CID 58962690
9-(cyclohexylmethyl)-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine;N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxy-9-phenylpurin-6-amine
CID 157690209
6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
CID 159497324
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine
CID 159694267
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine
CID 159991227
1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 160244382
9-cyclohexyl-2-N-[4-(dimethylamino)phenyl]-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine;9-cyclohexyl-2-(4-ethylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(3-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-6-N-(4-morpholin-4-ylphenyl)-2-N-naphthalen-1-ylpurine-2,6-diamine
CID 160412635
CID 161716664
CID 161716664
methane;22-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;bis((10Z)-6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine);(10Z)-22-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;(10E)-22-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),15,17,19,21-heptaen-17-amine
CID 161841856
N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine;N-[4-[3-(5-ethyl-2-pyridinyl)propyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine;N-[4-[2-(4-methoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine;N-[4-morpholin-4-yl-6-(2-phenylethoxy)-1,3,5-triazin-2-yl]-9H-carbazol-3-amine
CID 162124977
CID 168320045
CID 168320045

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine?
The IUPAC name of 2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine (CID 158793460) is 2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine.
What is the SMILES notation for 2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine?
The canonical SMILES for 2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine is CC1(C)Cc2cccc(Oc3nc(Nc4ccc(N5CCOCC5)cc4)c4ncn(C5CCCCC5)c4n3)c2O1.Clc1nc(Nc2ccc(N3CCOCC3)cc2)c2ncn(C3CCCCC3)c2n1.c1cc(N2CCOCC2)ccc1Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2C1CCCCC1.c1ccc2c(Oc3nc(Nc4ccc(N5CCOCC5)cc4)c4ncn(C5CCCCC5)c4n3)cccc2c1.
What is the InChIKey of 2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine?
The InChIKey is ISOMEFOYOBSJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O3.C31H32N6O2.C30H34N6O2.C21H25ClN6O/c1-31(2)19-21-7-6-10-25(27(21)40-31)39-30-34-28(26-29(35-30)37(20-32-26)24-8-4-3-5-9-24)33-22-11-13-23(14-12-22)36-15-17-38-18-16-36;1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27;1-2-7-25(8-3-1)36-20-31-27-28(32-23-10-12-24(13-11-23)35-15-17-37-18-16-35)33-30(34-29(27)36)38-26-14-9-21-5-4-6-22(21)19-26;22-21-25-19(18-20(26-21)28(14-23-18)17-4-2-1-3-5-17)24-15-6-8-16(9-7-15)27-10-12-29-13-11-27/h6-7,10-14,20,24H,3-5,8-9,15-19H2,1-2H3,(H,33,34,35);4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35);9-14,19-20,25H,1-8,15-18H2,(H,32,33,34);6-9,14,17H,1-5,10-13H2,(H,24,25,26).
What are the key properties of 2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine?
2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine has a molecular weight of 1984.87 g/mol, XLogP of 24.03, 22 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine is sourced from PubChem (CID 158793460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).