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

C104H117N29O13 — CID 159376881

IUPACN-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
SMILESC#CCn1cnc2c(-c3cccc4c3C=CC4)nc(N3CC(C)OC(C)C3)nc21.CC(C)NC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)N1CCOCC1.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)NC1CC1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCNCC2)c1
InChIInChI=1S/C23H23N5O.C21H24N6O4.C20H22N6O3.C20H24N6O3.C20H24N6O2/c1-4-11-27-14-24-21-20(19-10-6-8-17-7-5-9-18(17)19)25-23(26-22(21)27)28-12-15(2)29-16(3)13-28;28-16-3-1-2-15(12-16)18-19-20(24-21(23-18)26-6-10-31-11-7-26)27(14-22-19)13-17(29)25-4-8-30-9-5-25;27-15-3-1-2-13(10-15)17-18-19(24-20(23-17)25-6-8-29-9-7-25)26(12-21-18)11-16(28)22-14-4-5-14;1-13(2)22-16(28)11-26-12-21-18-17(14-4-3-5-15(27)10-14)23-20(24-19(18)26)25-6-8-29-9-7-25;27-16-3-1-2-14(12-16)17-18-19(24-20(23-17)25-8-10-28-11-9-25)26(13-22-18)15-4-6-21-7-5-15/h1,5-6,8-10,14-16H,7,11-13H2,2-3H3;1-3,12,14,28H,4-11,13H2;1-3,10,12,14,27H,4-9,11H2,(H,22,28);3-5,10,12-13,27H,6-9,11H2,1-2H3,(H,22,28);1-3,12-13,15,21,27H,4-11H2
InChIKeyLKKWHQSPRKYQRZ-UHFFFAOYSA-N
MW1981.27 g/mol
LogP9.04
Rot. Bonds20

About 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

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 (PubChem CID 159376881) has the molecular formula C104H117N29O13 and a molecular weight of 1981.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID159376881
Molecular FormulaC104H117N29O13
Molecular Weight1981.27 g/mol
Exact Mass1979.94
IUPAC NameN-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
SMILESC#CCn1cnc2c(-c3cccc4c3C=CC4)nc(N3CC(C)OC(C)C3)nc21.CC(C)NC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)N1CCOCC1.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)NC1CC1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCNCC2)c1
InChIInChI=1S/C23H23N5O.C21H24N6O4.C20H22N6O3.C20H24N6O3.C20H24N6O2/c1-4-11-27-14-24-21-20(19-10-6-8-17-7-5-9-18(17)19)25-23(26-22(21)27)28-12-15(2)29-16(3)13-28;28-16-3-1-2-15(12-16)18-19-20(24-21(23-18)26-6-10-31-11-7-26)27(14-22-19)13-17(29)25-4-8-30-9-5-25;27-15-3-1-2-13(10-15)17-18-19(24-20(23-17)25-6-8-29-9-7-25)26(12-21-18)11-16(28)22-14-4-5-14;1-13(2)22-16(28)11-26-12-21-18-17(14-4-3-5-15(27)10-14)23-20(24-19(18)26)25-6-8-29-9-7-25;27-16-3-1-2-14(12-16)17-18-19(24-20(23-17)25-8-10-28-11-9-25)26(13-22-18)15-4-6-21-7-5-15/h1,5-6,8-10,14-16H,7,11-13H2,2-3H3;1-3,12,14,28H,4-11,13H2;1-3,10,12,14,27H,4-9,11H2,(H,22,28);3-5,10,12-13,27H,6-9,11H2,1-2H3,(H,22,28);1-3,12-13,15,21,27H,4-11H2
InChIKeyLKKWHQSPRKYQRZ-UHFFFAOYSA-N
XLogP9.04
TPSA461.04 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds20
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001981.27
LogP ≤ 59.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 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 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;4-[6-(1H-inden-4-yl)-9-prop-2-ynylpurin-2-yl]morpholine
CID 160726355
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-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
CID 25256550
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
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
3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol
CID 46225280
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
4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
CID 25256463
3-[9-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25255155
3-[9-[2-(diethylamino)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25256551
3-[2-morpholin-4-yl-9-[[3-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methyl]purin-6-yl]phenol
CID 143785478

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#CCn1cnc2c(-c3cccc4c3C=CC4)nc(N3CC(C)OC(C)C3)nc21.CC(C)NC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)N1CCOCC1.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)NC1CC1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCNCC2)c1.
What is the InChIKey of 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?
The InChIKey is LKKWHQSPRKYQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O.C21H24N6O4.C20H22N6O3.C20H24N6O3.C20H24N6O2/c1-4-11-27-14-24-21-20(19-10-6-8-17-7-5-9-18(17)19)25-23(26-22(21)27)28-12-15(2)29-16(3)13-28;28-16-3-1-2-15(12-16)18-19-20(24-21(23-18)26-6-10-31-11-7-26)27(14-22-19)13-17(29)25-4-8-30-9-5-25;27-15-3-1-2-13(10-15)17-18-19(24-20(23-17)25-6-8-29-9-7-25)26(12-21-18)11-16(28)22-14-4-5-14;1-13(2)22-16(28)11-26-12-21-18-17(14-4-3-5-15(27)10-14)23-20(24-19(18)26)25-6-8-29-9-7-25;27-16-3-1-2-14(12-16)17-18-19(24-20(23-17)25-8-10-28-11-9-25)26(13-22-18)15-4-6-21-7-5-15/h1,5-6,8-10,14-16H,7,11-13H2,2-3H3;1-3,12,14,28H,4-11,13H2;1-3,10,12,14,27H,4-9,11H2,(H,22,28);3-5,10,12-13,27H,6-9,11H2,1-2H3,(H,22,28);1-3,12-13,15,21,27H,4-11H2.
What are the key properties of 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?
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 has a molecular weight of 1981.27 g/mol, XLogP of 9.04, 20 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159376881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).