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

C113H109FN32O8 — CID 158096005

IUPAC4-[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
SMILESCC(c1ccccc1)n1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.Cc1cc(F)cc(Cn2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)c1.Nc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)cc1N.O=c1[nH]c2ccc(-c3nc(N4CCOCC4)nc4c3ncn4Cc3ccccc3)cc2[nH]1.c1ccc(Cn2cnc3c(-c4ccc5n[nH]nc5c4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C23H22FN5O2.C23H21N7O2.C23H23N5O2.C22H20N8O.C22H23N7O/c1-15-9-16(11-18(24)10-15)13-29-14-25-21-20(17-3-2-4-19(30)12-17)26-23(27-22(21)29)28-5-7-31-8-6-28;31-23-25-17-7-6-16(12-18(17)26-23)19-20-21(28-22(27-19)29-8-10-32-11-9-29)30(14-24-20)13-15-4-2-1-3-5-15;1-16(17-6-3-2-4-7-17)28-15-24-21-20(18-8-5-9-19(29)14-18)25-23(26-22(21)28)27-10-12-30-13-11-27;1-2-4-15(5-3-1)13-30-14-23-20-19(16-6-7-17-18(12-16)27-28-26-17)24-22(25-21(20)30)29-8-10-31-11-9-29;23-17-7-6-16(12-18(17)24)19-20-21(27-22(26-19)28-8-10-30-11-9-28)29(14-25-20)13-15-4-2-1-3-5-15/h2-4,9-12,14,30H,5-8,13H2,1H3;1-7,12,14H,8-11,13H2,(H2,25,26,31);2-9,14-16,29H,10-13H2,1H3;1-7,12,14H,8-11,13H2,(H,26,27,28);1-7,12,14H,8-11,13,23-24H2
InChIKeyFORBWUUILWWBEQ-UHFFFAOYSA-N
MW2062.33 g/mol
LogP14.92
Rot. Bonds20

About 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

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 (PubChem CID 158096005) has the molecular formula C113H109FN32O8 and a molecular weight of 2062.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID158096005
Molecular FormulaC113H109FN32O8
Molecular Weight2062.33 g/mol
Exact Mass2060.91
IUPAC Name4-[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
SMILESCC(c1ccccc1)n1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.Cc1cc(F)cc(Cn2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)c1.Nc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)cc1N.O=c1[nH]c2ccc(-c3nc(N4CCOCC4)nc4c3ncn4Cc3ccccc3)cc2[nH]1.c1ccc(Cn2cnc3c(-c4ccc5n[nH]nc5c4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C23H22FN5O2.C23H21N7O2.C23H23N5O2.C22H20N8O.C22H23N7O/c1-15-9-16(11-18(24)10-15)13-29-14-25-21-20(17-3-2-4-19(30)12-17)26-23(27-22(21)29)28-5-7-31-8-6-28;31-23-25-17-7-6-16(12-18(17)26-23)19-20-21(28-22(27-19)29-8-10-32-11-9-29)30(14-24-20)13-15-4-2-1-3-5-15;1-16(17-6-3-2-4-7-17)28-15-24-21-20(18-8-5-9-19(29)14-18)25-23(26-22(21)28)27-10-12-30-13-11-27;1-2-4-15(5-3-1)13-30-14-23-20-19(16-6-7-17-18(12-16)27-28-26-17)24-22(25-21(20)30)29-8-10-31-11-9-29;23-17-7-6-16(12-18(17)24)19-20-21(27-22(26-19)28-8-10-30-11-9-28)29(14-25-20)13-15-4-2-1-3-5-15/h2-4,9-12,14,30H,5-8,13H2,1H3;1-7,12,14H,8-11,13H2,(H2,25,26,31);2-9,14-16,29H,10-13H2,1H3;1-7,12,14H,8-11,13H2,(H,26,27,28);1-7,12,14H,8-11,13,23-24H2
InChIKeyFORBWUUILWWBEQ-UHFFFAOYSA-N
XLogP14.92
TPSA463.07 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds20
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002062.33
LogP ≤ 514.92
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 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 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
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-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]-3-piperidin-1-ylpropanamide
CID 68731809
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
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-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine
CID 58102423
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
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
1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one
CID 160607967

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(c1ccccc1)n1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.Cc1cc(F)cc(Cn2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)c1.Nc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)cc1N.O=c1[nH]c2ccc(-c3nc(N4CCOCC4)nc4c3ncn4Cc3ccccc3)cc2[nH]1.c1ccc(Cn2cnc3c(-c4ccc5n[nH]nc5c4)nc(N4CCOCC4)nc32)cc1.
What is the InChIKey of 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?
The InChIKey is FORBWUUILWWBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2.C23H21N7O2.C23H23N5O2.C22H20N8O.C22H23N7O/c1-15-9-16(11-18(24)10-15)13-29-14-25-21-20(17-3-2-4-19(30)12-17)26-23(27-22(21)29)28-5-7-31-8-6-28;31-23-25-17-7-6-16(12-18(17)26-23)19-20-21(28-22(27-19)29-8-10-32-11-9-29)30(14-24-20)13-15-4-2-1-3-5-15;1-16(17-6-3-2-4-7-17)28-15-24-21-20(18-8-5-9-19(29)14-18)25-23(26-22(21)28)27-10-12-30-13-11-27;1-2-4-15(5-3-1)13-30-14-23-20-19(16-6-7-17-18(12-16)27-28-26-17)24-22(25-21(20)30)29-8-10-31-11-9-29;23-17-7-6-16(12-18(17)24)19-20-21(27-22(26-19)28-8-10-30-11-9-28)29(14-25-20)13-15-4-2-1-3-5-15/h2-4,9-12,14,30H,5-8,13H2,1H3;1-7,12,14H,8-11,13H2,(H2,25,26,31);2-9,14-16,29H,10-13H2,1H3;1-7,12,14H,8-11,13H2,(H,26,27,28);1-7,12,14H,8-11,13,23-24H2.
What are the key properties of 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?
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 has a molecular weight of 2062.33 g/mol, XLogP of 14.92, 20 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158096005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).