3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one

C114H110FN25O10 — CID 159231960

IUPAC3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)c1.OCc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)c1.Oc1cc(F)cc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)c1.Oc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)cc1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)c1
InChIInChI=1S/C25H25N5O2.C23H23N5O2.C22H20FN5O2.2C22H21N5O2/c1-18(31)14-20-8-5-9-21(15-20)22-23-24(28-25(27-22)29-10-12-32-13-11-29)30(17-26-23)16-19-6-3-2-4-7-19;29-15-18-7-4-8-19(13-18)20-21-22(26-23(25-20)27-9-11-30-12-10-27)28(16-24-21)14-17-5-2-1-3-6-17;23-17-10-16(11-18(29)12-17)19-20-21(26-22(25-19)27-6-8-30-9-7-27)28(14-24-20)13-15-4-2-1-3-5-15;28-18-8-4-7-17(13-18)19-20-21(25-22(24-19)26-9-11-29-12-10-26)27(15-23-20)14-16-5-2-1-3-6-16;28-18-8-6-17(7-9-18)19-20-21(25-22(24-19)26-10-12-29-13-11-26)27(15-23-20)14-16-4-2-1-3-5-16/h2-9,15,17H,10-14,16H2,1H3;1-8,13,16,29H,9-12,14-15H2;1-5,10-12,14,29H,6-9,13H2;1-8,13,15,28H,9-12,14H2;1-9,15,28H,10-14H2
InChIKeyKTAAYIJCZFMUMZ-UHFFFAOYSA-N
MW2009.30 g/mol
LogP15.77
Rot. Bonds23

About 3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one

3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one (PubChem CID 159231960) has the molecular formula C114H110FN25O10 and a molecular weight of 2009.30 g/mol. Its IUPAC name is 3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one
PubChem CID159231960
Molecular FormulaC114H110FN25O10
Molecular Weight2009.30 g/mol
Exact Mass2007.89
IUPAC Name3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)c1.OCc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)c1.Oc1cc(F)cc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)c1.Oc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)cc1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)c1
InChIInChI=1S/C25H25N5O2.C23H23N5O2.C22H20FN5O2.2C22H21N5O2/c1-18(31)14-20-8-5-9-21(15-20)22-23-24(28-25(27-22)29-10-12-32-13-11-29)30(17-26-23)16-19-6-3-2-4-7-19;29-15-18-7-4-8-19(13-18)20-21-22(26-23(25-20)27-9-11-30-12-10-27)28(16-24-21)14-17-5-2-1-3-6-17;23-17-10-16(11-18(29)12-17)19-20-21(26-22(25-19)27-6-8-30-9-7-27)28(14-24-20)13-15-4-2-1-3-5-15;28-18-8-4-7-17(13-18)19-20-21(25-22(24-19)26-9-11-29-12-10-26)27(15-23-20)14-16-5-2-1-3-6-16;28-18-8-6-17(7-9-18)19-20-21(25-22(24-19)26-10-12-29-13-11-26)27(15-23-20)14-16-4-2-1-3-5-16/h2-9,15,17H,10-14,16H2,1H3;1-8,13,16,29H,9-12,14-15H2;1-5,10-12,14,29H,6-9,13H2;1-8,13,15,28H,9-12,14H2;1-9,15,28H,10-14H2
InChIKeyKTAAYIJCZFMUMZ-UHFFFAOYSA-N
XLogP15.77
TPSA378.34 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002009.30
LogP ≤ 515.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Analyze 3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one with MolForge

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Related Compounds

4-[6-(3H-benzimidazol-5-yl)-9-benzylpurin-2-yl]morpholine;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)aniline;N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]-3-piperidin-1-ylpropanamide;3-[9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]phenol
CID 158739479
3-[9-[(3,5-Dimethoxyphenyl)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-[2-morpholin-4-yl-9-[[3-(trifluoromethoxy)phenyl]methyl]purin-6-yl]phenol
CID 159278740
4-[6-(3H-benzimidazol-5-yl)-9-benzylpurin-2-yl]morpholine;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)aniline;3-[9-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-morpholin-4-ylpurin-6-yl]phenol;N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]-3-piperidin-1-ylpropanamide;3-[9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 162135954
2-[3-[3-[[(2R,3S,4R,5R)-5-(6-amino-2-phenylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,4R,5R)-5-(2-benzyl-6-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;bis(2-[3-[3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid);2-[3-[4-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]-5-(trifluoromethyl)phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid
CID 167536808
1-[4-Ethyl-3-(trifluoromethyl)phenyl]-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]propan-2-one;1-[4-(hydroxymethyl)phenyl]-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]propan-2-one;1-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-[4-(2-morpholin-4-ylethoxymethyl)phenyl]propan-2-one
CID 167543555
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
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

Frequently Asked Questions

What is the IUPAC name of 3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one?
The IUPAC name of 3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one (CID 159231960) is 3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one.
What is the SMILES notation for 3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one?
The canonical SMILES for 3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one is CC(=O)Cc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)c1.OCc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)c1.Oc1cc(F)cc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)c1.Oc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)cc1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)c1.
What is the InChIKey of 3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one?
The InChIKey is KTAAYIJCZFMUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2.C23H23N5O2.C22H20FN5O2.2C22H21N5O2/c1-18(31)14-20-8-5-9-21(15-20)22-23-24(28-25(27-22)29-10-12-32-13-11-29)30(17-26-23)16-19-6-3-2-4-7-19;29-15-18-7-4-8-19(13-18)20-21-22(26-23(25-20)27-9-11-30-12-10-27)28(16-24-21)14-17-5-2-1-3-6-17;23-17-10-16(11-18(29)12-17)19-20-21(26-22(25-19)27-6-8-30-9-7-27)28(14-24-20)13-15-4-2-1-3-5-15;28-18-8-4-7-17(13-18)19-20-21(25-22(24-19)26-9-11-29-12-10-26)27(15-23-20)14-16-5-2-1-3-6-16;28-18-8-6-17(7-9-18)19-20-21(25-22(24-19)26-10-12-29-13-11-26)27(15-23-20)14-16-4-2-1-3-5-16/h2-9,15,17H,10-14,16H2,1H3;1-8,13,16,29H,9-12,14-15H2;1-5,10-12,14,29H,6-9,13H2;1-8,13,15,28H,9-12,14H2;1-9,15,28H,10-14H2.
What are the key properties of 3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one?
3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one has a molecular weight of 2009.30 g/mol, XLogP of 15.77, 23 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one is sourced from PubChem (CID 159231960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).