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

C86H97N21O5 — CID 123545416

IUPAC4-[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
SMILESCC(C)C(C)n1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.CC(C)C(C)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.CC(C)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.CCC(C#N)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21
InChIInChI=1S/C23H27N5O.C22H22N6O.C21H23N5O.C20H25N5O2/c1-15(2)16(3)28-14-24-21-20(19-9-5-7-17-6-4-8-18(17)19)25-23(26-22(21)28)27-10-12-29-13-11-27;1-2-16(13-23)28-14-24-20-19(18-8-4-6-15-5-3-7-17(15)18)25-22(26-21(20)28)27-9-11-29-12-10-27;1-14(2)26-13-22-19-18(17-8-4-6-15-5-3-7-16(15)17)23-21(24-20(19)26)25-9-11-27-12-10-25;1-13(2)14(3)25-12-21-18-17(15-5-4-6-16(26)11-15)22-20(23-19(18)25)24-7-9-27-10-8-24/h4-5,7-9,14-16H,6,10-13H2,1-3H3;3-4,6-8,14,16H,2,5,9-12H2,1H3;3-4,6-8,13-14H,5,9-12H2,1-2H3;4-6,11-14,26H,7-10H2,1-3H3
InChIKeyRYUMMZSNVDFONS-UHFFFAOYSA-N
MW1504.86 g/mol
LogP14.22
Rot. Bonds15

About 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

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 (PubChem CID 123545416) has the molecular formula C86H97N21O5 and a molecular weight of 1504.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID123545416
Molecular FormulaC86H97N21O5
Molecular Weight1504.86 g/mol
Exact Mass1503.80
IUPAC Name4-[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
SMILESCC(C)C(C)n1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.CC(C)C(C)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.CC(C)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.CCC(C#N)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21
InChIInChI=1S/C23H27N5O.C22H22N6O.C21H23N5O.C20H25N5O2/c1-15(2)16(3)28-14-24-21-20(19-9-5-7-17-6-4-8-18(17)19)25-23(26-22(21)28)27-10-12-29-13-11-27;1-2-16(13-23)28-14-24-20-19(18-8-4-6-15-5-3-7-17(15)18)25-22(26-21(20)28)27-9-11-29-12-10-27;1-14(2)26-13-22-19-18(17-8-4-6-15-5-3-7-16(15)17)23-21(24-20(19)26)25-9-11-27-12-10-25;1-13(2)14(3)25-12-21-18-17(15-5-4-6-16(26)11-15)22-20(23-19(18)25)24-7-9-27-10-8-24/h4-5,7-9,14-16H,6,10-13H2,1-3H3;3-4,6-8,14,16H,2,5,9-12H2,1H3;3-4,6-8,13-14H,5,9-12H2,1-2H3;4-6,11-14,26H,7-10H2,1-3H3
InChIKeyRYUMMZSNVDFONS-UHFFFAOYSA-N
XLogP14.22
TPSA268.30 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds15
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001504.86
LogP ≤ 514.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 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 with MolForge

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Related Compounds

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
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;4-[6-(1H-inden-4-yl)-9-prop-2-ynylpurin-2-yl]morpholine
CID 160726355
3-[9-[2-(diethylamino)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25256551
1-hydroxy-7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]heptane-2,6-dione
CID 157266940
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912
3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
CID 25256550
N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide
CID 118366949
4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine
CID 143785477
1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one
CID 160607967
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
3-[2-morpholin-4-yl-9-[[3-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methyl]purin-6-yl]phenol
CID 143785478
N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide
CID 118374649

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(C)n1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.CC(C)C(C)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.CC(C)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.CCC(C#N)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.
What is the InChIKey of 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?
The InChIKey is RYUMMZSNVDFONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O.C22H22N6O.C21H23N5O.C20H25N5O2/c1-15(2)16(3)28-14-24-21-20(19-9-5-7-17-6-4-8-18(17)19)25-23(26-22(21)28)27-10-12-29-13-11-27;1-2-16(13-23)28-14-24-20-19(18-8-4-6-15-5-3-7-17(15)18)25-22(26-21(20)28)27-9-11-29-12-10-27;1-14(2)26-13-22-19-18(17-8-4-6-15-5-3-7-16(15)17)23-21(24-20(19)26)25-9-11-27-12-10-25;1-13(2)14(3)25-12-21-18-17(15-5-4-6-16(26)11-15)22-20(23-19(18)25)24-7-9-27-10-8-24/h4-5,7-9,14-16H,6,10-13H2,1-3H3;3-4,6-8,14,16H,2,5,9-12H2,1H3;3-4,6-8,13-14H,5,9-12H2,1-2H3;4-6,11-14,26H,7-10H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1504.86 g/mol, XLogP of 14.22, 15 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123545416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).