N-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol

C116H116N26O12S — CID 159714254

IUPACN-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol
SMILESCS(=O)(=O)Nc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)c1.Cc1ccc(Cn2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)cc1.Cc1cccc(Cn2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)c1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C/C=C/c2ccccc2)c1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3CCOc2ccccc2)c1
InChIInChI=1S/C24H23N5O2.C23H24N6O3S.C23H23N5O3.2C23H23N5O2/c30-20-10-4-9-19(16-20)21-22-23(27-24(26-21)28-12-14-31-15-13-28)29(17-25-22)11-5-8-18-6-2-1-3-7-18;1-33(30,31)27-19-9-5-8-18(14-19)20-21-22(26-23(25-20)28-10-12-32-13-11-28)29(16-24-21)15-17-6-3-2-4-7-17;29-18-6-4-5-17(15-18)20-21-22(26-23(25-20)27-9-12-30-13-10-27)28(16-24-21)11-14-31-19-7-2-1-3-8-19;1-16-4-2-5-17(12-16)14-28-15-24-21-20(18-6-3-7-19(29)13-18)25-23(26-22(21)28)27-8-10-30-11-9-27;1-16-5-7-17(8-6-16)14-28-15-24-21-20(18-3-2-4-19(29)13-18)25-23(26-22(21)28)27-9-11-30-12-10-27/h1-10,16-17,30H,11-15H2;2-9,14,16,27H,10-13,15H2,1H3;1-8,15-16,29H,9-14H2;2-7,12-13,15,29H,8-11,14H2,1H3;2-8,13,15,29H,9-12,14H2,1H3/b8-5+;;;;
InChIKeyMZFNMQOYFVDTQX-RKAMWMKASA-N
MW2098.44 g/mol
LogP16.40
Rot. Bonds25

About N-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol

N-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol (PubChem CID 159714254) has the molecular formula C116H116N26O12S and a molecular weight of 2098.44 g/mol. Its IUPAC name is N-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol.

Molecular Properties

Compound NameN-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol
PubChem CID159714254
Molecular FormulaC116H116N26O12S
Molecular Weight2098.44 g/mol
Exact Mass2096.90
IUPAC NameN-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol
SMILESCS(=O)(=O)Nc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)c1.Cc1ccc(Cn2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)cc1.Cc1cccc(Cn2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)c1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C/C=C/c2ccccc2)c1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3CCOc2ccccc2)c1
InChIInChI=1S/C24H23N5O2.C23H24N6O3S.C23H23N5O3.2C23H23N5O2/c30-20-10-4-9-19(16-20)21-22-23(27-24(26-21)28-12-14-31-15-13-28)29(17-25-22)11-5-8-18-6-2-1-3-7-18;1-33(30,31)27-19-9-5-8-18(14-19)20-21-22(26-23(25-20)28-10-12-32-13-11-28)29(16-24-21)15-17-6-3-2-4-7-17;29-18-6-4-5-17(15-18)20-21-22(26-23(25-20)27-9-12-30-13-10-27)28(16-24-21)11-14-31-19-7-2-1-3-8-19;1-16-4-2-5-17(12-16)14-28-15-24-21-20(18-6-3-7-19(29)13-18)25-23(26-22(21)28)27-8-10-30-11-9-27;1-16-5-7-17(8-6-16)14-28-15-24-21-20(18-3-2-4-19(29)13-18)25-23(26-22(21)28)27-9-11-30-12-10-27/h1-10,16-17,30H,11-15H2;2-9,14,16,27H,10-13,15H2,1H3;1-8,15-16,29H,9-14H2;2-7,12-13,15,29H,8-11,14H2,1H3;2-8,13,15,29H,9-12,14H2,1H3/b8-5+;;;;
InChIKeyMZFNMQOYFVDTQX-RKAMWMKASA-N
XLogP16.40
TPSA416.67 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds25
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002098.44
LogP ≤ 516.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Analyze N-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol with MolForge

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Launch Full Analysis

Related Compounds

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
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
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
3-[9-[(3-Ethyl-5-methoxyphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;methyl 4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]benzoate;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 123593688
4-[9-benzyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 123637067
4-[6-(1H-inden-4-yl)-9-(1-methoxypropan-2-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(2-methylpropyl)purin-2-yl]morpholine;3-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 123783060
4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;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 123943609
3-[9-Butan-2-yl-8-(methyl-methylidene-oxo-lambda6-sulfanyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol;5-(9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyridin-2-amine;5-(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)pyridin-2-amine;5-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyridin-2-amine
CID 124025769
Tert-butylsulfonyl 2-methylpropane-2-sulfonate;3-[2,6-di(propan-2-yl)phenyl]-10-[[3-[2,6-di(propan-2-yl)phenyl]-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-10-yl]oxy]-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;3-[2,6-di(propan-2-yl)phenyl]-10-methyl-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;bis(3-[2,6-di(propan-2-yl)phenyl]-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-10-ol);methane
CID 157255682
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
N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione
CID 157298674

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol?
The IUPAC name of N-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol (CID 159714254) is N-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol.
What is the SMILES notation for N-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol?
The canonical SMILES for N-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol is CS(=O)(=O)Nc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)c1.Cc1ccc(Cn2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)cc1.Cc1cccc(Cn2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)c1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C/C=C/c2ccccc2)c1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3CCOc2ccccc2)c1.
What is the InChIKey of N-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol?
The InChIKey is MZFNMQOYFVDTQX-RKAMWMKASA-N. The full InChI is InChI=1S/C24H23N5O2.C23H24N6O3S.C23H23N5O3.2C23H23N5O2/c30-20-10-4-9-19(16-20)21-22-23(27-24(26-21)28-12-14-31-15-13-28)29(17-25-22)11-5-8-18-6-2-1-3-7-18;1-33(30,31)27-19-9-5-8-18(14-19)20-21-22(26-23(25-20)28-10-12-32-13-11-28)29(16-24-21)15-17-6-3-2-4-7-17;29-18-6-4-5-17(15-18)20-21-22(26-23(25-20)27-9-12-30-13-10-27)28(16-24-21)11-14-31-19-7-2-1-3-8-19;1-16-4-2-5-17(12-16)14-28-15-24-21-20(18-6-3-7-19(29)13-18)25-23(26-22(21)28)27-8-10-30-11-9-27;1-16-5-7-17(8-6-16)14-28-15-24-21-20(18-3-2-4-19(29)13-18)25-23(26-22(21)28)27-9-11-30-12-10-27/h1-10,16-17,30H,11-15H2;2-9,14,16,27H,10-13,15H2,1H3;1-8,15-16,29H,9-14H2;2-7,12-13,15,29H,8-11,14H2,1H3;2-8,13,15,29H,9-12,14H2,1H3/b8-5+;;;;.
What are the key properties of N-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol?
N-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol has a molecular weight of 2098.44 g/mol, XLogP of 16.40, 25 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanesulfonamide;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(2-phenoxyethyl)purin-6-yl]phenol;3-[2-morpholin-4-yl-9-[(E)-3-phenylprop-2-enyl]purin-6-yl]phenol is sourced from PubChem (CID 159714254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).