3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine

C88H102N22O8S — CID 123152281

IUPAC3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine
SMILESC1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c2ncn3C2CCOC2)C1.CCC(C)n1cnc2c(-c3cccc4c3C=NC4)nc(N3CCOCC3)nc21.CCc1nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc2n1C(C)CC.CS(=O)(=O)N1CCC(n2cnc3c(-c4cccc5c4C=CC5)nc(N4CCOCC4)nc32)CC1
InChIInChI=1S/C24H28N6O3S.C22H23N5O2.C21H24N6O.C21H27N5O2/c1-34(31,32)29-10-8-18(9-11-29)30-16-25-22-21(20-7-3-5-17-4-2-6-19(17)20)26-24(27-23(22)30)28-12-14-33-15-13-28;1-3-15-4-2-6-18(17(15)5-1)19-20-21(27(14-23-20)16-7-10-29-13-16)25-22(24-19)26-8-11-28-12-9-26;1-3-14(2)27-13-23-19-18(16-6-4-5-15-11-22-12-17(15)16)24-21(25-20(19)27)26-7-9-28-10-8-26;1-4-14(3)26-17(5-2)22-19-18(15-7-6-8-16(27)13-15)23-21(24-20(19)26)25-9-11-28-12-10-25/h2-3,5-7,16,18H,4,8-15H2,1H3;1-2,4-6,14,16H,3,7-13H2;4-6,12-14H,3,7-11H2,1-2H3;6-8,13-14,27H,4-5,9-12H2,1-3H3
InChIKeyKOELTEOPBJIQBB-UHFFFAOYSA-N
MW1628.00 g/mol
LogP12.16
Rot. Bonds16

About 3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine

3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine (PubChem CID 123152281) has the molecular formula C88H102N22O8S and a molecular weight of 1628.00 g/mol. Its IUPAC name is 3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine.

Molecular Properties

Compound Name3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine
PubChem CID123152281
Molecular FormulaC88H102N22O8S
Molecular Weight1628.00 g/mol
Exact Mass1626.80
IUPAC Name3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine
SMILESC1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c2ncn3C2CCOC2)C1.CCC(C)n1cnc2c(-c3cccc4c3C=NC4)nc(N3CCOCC3)nc21.CCc1nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc2n1C(C)CC.CS(=O)(=O)N1CCC(n2cnc3c(-c4cccc5c4C=CC5)nc(N4CCOCC4)nc32)CC1
InChIInChI=1S/C24H28N6O3S.C22H23N5O2.C21H24N6O.C21H27N5O2/c1-34(31,32)29-10-8-18(9-11-29)30-16-25-22-21(20-7-3-5-17-4-2-6-19(17)20)26-24(27-23(22)30)28-12-14-33-15-13-28;1-3-15-4-2-6-18(17(15)5-1)19-20-21(27(14-23-20)16-7-10-29-13-16)25-22(24-19)26-8-11-28-12-9-26;1-3-14(2)27-13-23-19-18(16-6-4-5-15-11-22-12-17(15)16)24-21(25-20(19)27)26-7-9-28-10-8-26;1-4-14(3)26-17(5-2)22-19-18(15-7-6-8-16(27)13-15)23-21(24-20(19)26)25-9-11-28-12-10-25/h2-3,5-7,16,18H,4,8-15H2,1H3;1-2,4-6,14,16H,3,7-13H2;4-6,12-14H,3,7-11H2,1-2H3;6-8,13-14,27H,4-5,9-12H2,1-3H3
InChIKeyKOELTEOPBJIQBB-UHFFFAOYSA-N
XLogP12.16
TPSA303.48 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001628.00
LogP ≤ 512.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine with MolForge

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Related Compounds

3-[9-[2-(4-Methylsulfonylpiperazin-1-yl)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25255155
Bis[2-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-4-methylpiperazin-1-yl]methanone
CID 87260832
3-[9-[2-[3-[9-(2-Methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenyl]ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 91188953
3-(9-Cyclopentyl-2-morpholin-4-ylpurin-6-yl)phenol;3-[9-[[3-[(methyl-methylidene-oxo-lambda6-sulfanyl)methyl]phenyl]methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-9-prop-2-ynylpurin-6-yl)phenol
CID 123135909
4-[9-benzyl-6-(1H-inden-4-yl)purin-2-yl]morpholine;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-(4-methylpiperazin-1-yl)ethanone;4-[6-(1H-inden-4-yl)-9-(2-methoxyethyl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-phenylethyl)purin-2-yl]morpholine
CID 123135964
3-[9-[(3-Methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;bis(3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol);[3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenyl]methyl formate
CID 123208444
tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;4-[9-(cyclohexylmethyl)-6-(1H-inden-4-yl)purin-2-yl]morpholine;3-[9-(cyclohexylmethyl)-2-morpholin-4-ylpurin-6-yl]phenol;ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate
CID 123225682
3-(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)phenol;3-[9-[2-(diethylamino)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 123232827
bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol
CID 123311520
3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
CID 123384119
3-[9-[(3-Methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 123459664
4-[6-(1H-inden-4-yl)-9-(3-methylbutan-2-yl)purin-2-yl]morpholine;2-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]butanenitrile;4-[6-(1H-inden-4-yl)-9-propan-2-ylpurin-2-yl]morpholine;3-[9-(3-methylbutan-2-yl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 123545416

Frequently Asked Questions

What is the IUPAC name of 3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine?
The IUPAC name of 3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine (CID 123152281) is 3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine.
What is the SMILES notation for 3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine?
The canonical SMILES for 3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine is C1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c2ncn3C2CCOC2)C1.CCC(C)n1cnc2c(-c3cccc4c3C=NC4)nc(N3CCOCC3)nc21.CCc1nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc2n1C(C)CC.CS(=O)(=O)N1CCC(n2cnc3c(-c4cccc5c4C=CC5)nc(N4CCOCC4)nc32)CC1.
What is the InChIKey of 3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine?
The InChIKey is KOELTEOPBJIQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S.C22H23N5O2.C21H24N6O.C21H27N5O2/c1-34(31,32)29-10-8-18(9-11-29)30-16-25-22-21(20-7-3-5-17-4-2-6-19(17)20)26-24(27-23(22)30)28-12-14-33-15-13-28;1-3-15-4-2-6-18(17(15)5-1)19-20-21(27(14-23-20)16-7-10-29-13-16)25-22(24-19)26-8-11-28-12-9-26;1-3-14(2)27-13-23-19-18(16-6-4-5-15-11-22-12-17(15)16)24-21(25-20(19)27)26-7-9-28-10-8-26;1-4-14(3)26-17(5-2)22-19-18(15-7-6-8-16(27)13-15)23-21(24-20(19)26)25-9-11-28-12-10-25/h2-3,5-7,16,18H,4,8-15H2,1H3;1-2,4-6,14,16H,3,7-13H2;4-6,12-14H,3,7-11H2,1-2H3;6-8,13-14,27H,4-5,9-12H2,1-3H3.
What are the key properties of 3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine?
3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine has a molecular weight of 1628.00 g/mol, XLogP of 12.16, 16 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine is sourced from PubChem (CID 123152281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).