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-pentan-3-ylpurin-2-yl]morpholine;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

C109H124N26O6 — CID 157262977

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-pentan-3-ylpurin-2-yl]morpholine;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.CCC(CC)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21
InChIInChI=1S/2C23H27N5O.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;1-3-17(4-2)28-15-24-21-20(19-10-6-8-16-7-5-9-18(16)19)25-23(26-22(21)28)27-11-13-29-14-12-27;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;5-6,8-10,15,17H,3-4,7,11-14H2,1-2H3;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
InChIKeyAXRFXOSDODPPIA-UHFFFAOYSA-N
MW1894.37 g/mol
LogP18.48
Rot. Bonds20

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-pentan-3-ylpurin-2-yl]morpholine;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-pentan-3-ylpurin-2-yl]morpholine;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 157262977) has the molecular formula C109H124N26O6 and a molecular weight of 1894.37 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-pentan-3-ylpurin-2-yl]morpholine;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-pentan-3-ylpurin-2-yl]morpholine;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 CID157262977
Molecular FormulaC109H124N26O6
Molecular Weight1894.37 g/mol
Exact Mass1893.02
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-pentan-3-ylpurin-2-yl]morpholine;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.CCC(CC)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21
InChIInChI=1S/2C23H27N5O.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;1-3-17(4-2)28-15-24-21-20(19-10-6-8-16-7-5-9-18(16)19)25-23(26-22(21)28)27-11-13-29-14-12-27;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;5-6,8-10,15,17H,3-4,7,11-14H2,1-2H3;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
InChIKeyAXRFXOSDODPPIA-UHFFFAOYSA-N
XLogP18.48
TPSA324.37 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001894.37
LogP ≤ 518.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

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-pentan-3-ylpurin-2-yl]morpholine;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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Launch Full Analysis

Related Compounds

3-[[6-(3-Hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]benzonitrile
CID 25255652
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-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
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

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-pentan-3-ylpurin-2-yl]morpholine;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-pentan-3-ylpurin-2-yl]morpholine;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 157262977) 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-pentan-3-ylpurin-2-yl]morpholine;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-pentan-3-ylpurin-2-yl]morpholine;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-pentan-3-ylpurin-2-yl]morpholine;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.CCC(CC)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-pentan-3-ylpurin-2-yl]morpholine;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 AXRFXOSDODPPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H27N5O.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;1-3-17(4-2)28-15-24-21-20(19-10-6-8-16-7-5-9-18(16)19)25-23(26-22(21)28)27-11-13-29-14-12-27;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;5-6,8-10,15,17H,3-4,7,11-14H2,1-2H3;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-pentan-3-ylpurin-2-yl]morpholine;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-pentan-3-ylpurin-2-yl]morpholine;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 1894.37 g/mol, XLogP of 18.48, 20 rotatable bonds, 1 hydrogen bond donors, and 32 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-pentan-3-ylpurin-2-yl]morpholine;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 157262977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).