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

C115H117N27O8 — CID 160726355

IUPAC4-[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
SMILESC#CCn1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.C1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)C1.CC(c1ccccc1)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.CN1CCN(C(=O)Cn2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)CC1.COCCn1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21
InChIInChI=1S/C26H25N5O.C25H23N5O.C22H27N7O3.C21H23N5O2.C21H19N5O/c1-18(19-7-3-2-4-8-19)31-17-27-24-23(22-12-6-10-20-9-5-11-21(20)22)28-26(29-25(24)31)30-13-15-32-16-14-30;1-2-6-18(7-3-1)16-30-17-26-23-22(21-11-5-9-19-8-4-10-20(19)21)27-25(28-24(23)30)29-12-14-31-15-13-29;1-26-5-7-27(8-6-26)18(31)14-29-15-23-20-19(16-3-2-4-17(30)13-16)24-22(25-21(20)29)28-9-11-32-12-10-28;1-27-11-8-26-14-22-19-18(17-7-3-5-15-4-2-6-16(15)17)23-21(24-20(19)26)25-9-12-28-13-10-25;1-2-9-26-14-22-19-18(17-8-4-6-15-5-3-7-16(15)17)23-21(24-20(19)26)25-10-12-27-13-11-25/h2-8,10-12,17-18H,9,13-16H2,1H3;1-7,9-11,17H,8,12-16H2;2-4,13,15,30H,5-12,14H2,1H3;2-3,5-7,14H,4,8-13H2,1H3;1,3-4,6-8,14H,5,9-13H2
InChIKeyRTTOHDUVVVLEND-UHFFFAOYSA-N
MW2005.38 g/mol
LogP14.34
Rot. Bonds20

About 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

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 (PubChem CID 160726355) has the molecular formula C115H117N27O8 and a molecular weight of 2005.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID160726355
Molecular FormulaC115H117N27O8
Molecular Weight2005.38 g/mol
Exact Mass2003.96
IUPAC Name4-[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
SMILESC#CCn1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.C1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)C1.CC(c1ccccc1)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.CN1CCN(C(=O)Cn2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)CC1.COCCn1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21
InChIInChI=1S/C26H25N5O.C25H23N5O.C22H27N7O3.C21H23N5O2.C21H19N5O/c1-18(19-7-3-2-4-8-19)31-17-27-24-23(22-12-6-10-20-9-5-11-21(20)22)28-26(29-25(24)31)30-13-15-32-16-14-30;1-2-6-18(7-3-1)16-30-17-26-23-22(21-11-5-9-19-8-4-10-20(19)21)27-25(28-24(23)30)29-12-14-31-15-13-29;1-26-5-7-27(8-6-26)18(31)14-29-15-23-20-19(16-3-2-4-17(30)13-16)24-22(25-21(20)29)28-9-11-32-12-10-28;1-27-11-8-26-14-22-19-18(17-7-3-5-15-4-2-6-16(15)17)23-21(24-20(19)26)25-9-12-28-13-10-25;1-2-9-26-14-22-19-18(17-8-4-6-15-5-3-7-16(15)17)23-21(24-20(19)26)25-10-12-27-13-11-25/h2-8,10-12,17-18H,9,13-16H2,1H3;1-7,9-11,17H,8,12-16H2;2-4,13,15,30H,5-12,14H2,1H3;2-3,5-7,14H,4,8-13H2,1H3;1,3-4,6-8,14H,5,9-13H2
InChIKeyRTTOHDUVVVLEND-UHFFFAOYSA-N
XLogP14.34
TPSA333.36 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002005.38
LogP ≤ 514.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 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 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
N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide;4-[6-(1H-inden-4-yl)-9-prop-2-ynylpurin-2-yl]-2,6-dimethylmorpholine;3-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)phenol
CID 159376881
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
4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol
CID 158096005
3-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]-3-piperidin-1-ylpropanamide
CID 68731809
2-[6-(3-methylphenyl)-2-[2-[3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenoxy]morpholin-4-yl]purin-9-yl]acetonitrile
CID 143785485
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912
3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide
CID 90736300
N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide
CID 118366949
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]methoxy]heptan-2-one
CID 160607967
ethyl 2-[2-chloro-6-(3-hydroxyphenyl)purin-9-yl]acetate;ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate;morpholine
CID 158240757

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#CCn1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.C1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)C1.CC(c1ccccc1)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.CN1CCN(C(=O)Cn2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)CC1.COCCn1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.
What is the InChIKey of 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?
The InChIKey is RTTOHDUVVVLEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O.C25H23N5O.C22H27N7O3.C21H23N5O2.C21H19N5O/c1-18(19-7-3-2-4-8-19)31-17-27-24-23(22-12-6-10-20-9-5-11-21(20)22)28-26(29-25(24)31)30-13-15-32-16-14-30;1-2-6-18(7-3-1)16-30-17-26-23-22(21-11-5-9-19-8-4-10-20(19)21)27-25(28-24(23)30)29-12-14-31-15-13-29;1-26-5-7-27(8-6-26)18(31)14-29-15-23-20-19(16-3-2-4-17(30)13-16)24-22(25-21(20)29)28-9-11-32-12-10-28;1-27-11-8-26-14-22-19-18(17-7-3-5-15-4-2-6-16(15)17)23-21(24-20(19)26)25-9-12-28-13-10-25;1-2-9-26-14-22-19-18(17-8-4-6-15-5-3-7-16(15)17)23-21(24-20(19)26)25-10-12-27-13-11-25/h2-8,10-12,17-18H,9,13-16H2,1H3;1-7,9-11,17H,8,12-16H2;2-4,13,15,30H,5-12,14H2,1H3;2-3,5-7,14H,4,8-13H2,1H3;1,3-4,6-8,14H,5,9-13H2.
What are the key properties of 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?
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 has a molecular weight of 2005.38 g/mol, XLogP of 14.34, 20 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160726355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).