3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol

C87H92N26O12 — CID 158936438

IUPAC3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol
SMILESCOCCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.OCCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2cccnc2)c1.Oc1cccc(-c2nc(N3CCOCC3)nc3nc[nH]c23)c1
InChIInChI=1S/C21H20N6O2.C18H21N5O3.C17H19N5O3.C16H17N5O2.C15H15N5O2/c28-17-5-1-4-16(11-17)18-19-20(25-21(24-18)26-7-9-29-10-8-26)27(14-23-19)13-15-3-2-6-22-12-15;1-25-8-5-23-12-19-16-15(13-3-2-4-14(24)11-13)20-18(21-17(16)23)22-6-9-26-10-7-22;23-7-4-22-11-18-15-14(12-2-1-3-13(24)10-12)19-17(20-16(15)22)21-5-8-25-9-6-21;1-20-10-17-14-13(11-3-2-4-12(22)9-11)18-16(19-15(14)20)21-5-7-23-8-6-21;21-11-3-1-2-10(8-11)12-13-14(17-9-16-13)19-15(18-12)20-4-6-22-7-5-20/h1-6,11-12,14,28H,7-10,13H2;2-4,11-12,24H,5-10H2,1H3;1-3,10-11,23-24H,4-9H2;2-4,9-10,22H,5-8H2,1H3;1-3,8-9,21H,4-7H2,(H,16,17,18,19)
InChIKeyJJRZEJIHASQCNH-UHFFFAOYSA-N
MW1693.86 g/mol
LogP8.32
Rot. Bonds17

About 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol

3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol (PubChem CID 158936438) has the molecular formula C87H92N26O12 and a molecular weight of 1693.86 g/mol. Its IUPAC name is 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol.

Molecular Properties

Compound Name3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol
PubChem CID158936438
Molecular FormulaC87H92N26O12
Molecular Weight1693.86 g/mol
Exact Mass1692.74
IUPAC Name3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol
SMILESCOCCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.OCCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2cccnc2)c1.Oc1cccc(-c2nc(N3CCOCC3)nc3nc[nH]c23)c1
InChIInChI=1S/C21H20N6O2.C18H21N5O3.C17H19N5O3.C16H17N5O2.C15H15N5O2/c28-17-5-1-4-16(11-17)18-19-20(25-21(24-18)26-7-9-29-10-8-26)27(14-23-19)13-15-3-2-6-22-12-15;1-25-8-5-23-12-19-16-15(13-3-2-4-14(24)11-13)20-18(21-17(16)23)22-6-9-26-10-7-22;23-7-4-22-11-18-15-14(12-2-1-3-13(24)10-12)19-17(20-16(15)22)21-5-8-25-9-6-21;1-20-10-17-14-13(11-3-2-4-12(22)9-11)18-16(19-15(14)20)21-5-7-23-8-6-21;21-11-3-1-2-10(8-11)12-13-14(17-9-16-13)19-15(18-12)20-4-6-22-7-5-20/h1-6,11-12,14,28H,7-10,13H2;2-4,11-12,24H,5-10H2,1H3;1-3,10-11,23-24H,4-9H2;2-4,9-10,22H,5-8H2,1H3;1-3,8-9,21H,4-7H2,(H,16,17,18,19)
InChIKeyJJRZEJIHASQCNH-UHFFFAOYSA-N
XLogP8.32
TPSA434.71 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds17
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001693.86
LogP ≤ 58.32
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-morpholino-9-(1-((6-morpholinopyridin-3-yl)methyl)piperidin-4-yl)-9H-purin-2-yl)phenol
CID 25073388
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
8-tert-butyl-2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 159712568
8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine
CID 160143057
6-(3-aminophenyl)-N-phenylimidazo[1,2-a]pyrazin-8-amine;6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-ethylanilino]ethanol;N-cyclopropyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-(2-methoxyethyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 160155743
6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
CID 161016439
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
8-tert-butyl-2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 164968029
8-tert-butyl-2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 165108311
bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate
CID 139200359
3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
CID 42632989
3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
CID 42633177

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol?
The IUPAC name of 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol (CID 158936438) is 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol.
What is the SMILES notation for 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol?
The canonical SMILES for 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol is COCCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.OCCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2cccnc2)c1.Oc1cccc(-c2nc(N3CCOCC3)nc3nc[nH]c23)c1.
What is the InChIKey of 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol?
The InChIKey is JJRZEJIHASQCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2.C18H21N5O3.C17H19N5O3.C16H17N5O2.C15H15N5O2/c28-17-5-1-4-16(11-17)18-19-20(25-21(24-18)26-7-9-29-10-8-26)27(14-23-19)13-15-3-2-6-22-12-15;1-25-8-5-23-12-19-16-15(13-3-2-4-14(24)11-13)20-18(21-17(16)23)22-6-9-26-10-7-22;23-7-4-22-11-18-15-14(12-2-1-3-13(24)10-12)19-17(20-16(15)22)21-5-8-25-9-6-21;1-20-10-17-14-13(11-3-2-4-12(22)9-11)18-16(19-15(14)20)21-5-7-23-8-6-21;21-11-3-1-2-10(8-11)12-13-14(17-9-16-13)19-15(18-12)20-4-6-22-7-5-20/h1-6,11-12,14,28H,7-10,13H2;2-4,11-12,24H,5-10H2,1H3;1-3,10-11,23-24H,4-9H2;2-4,9-10,22H,5-8H2,1H3;1-3,8-9,21H,4-7H2,(H,16,17,18,19).
What are the key properties of 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol?
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol has a molecular weight of 1693.86 g/mol, XLogP of 8.32, 17 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol is sourced from PubChem (CID 158936438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).