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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol

C100H124N24O9 — CID 123819187

IUPAC3-[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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
SMILESCC(C)(C)CC(=O)N1CCC(n2cnc3c(-c4cccc5c4C=CC5)nc(N4CCOCC4)nc32)CC1.CCN(CC)CCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.O=C(CCN1CCCCC1)N1CCC(n2cnc3c(-c4cccc5c4C=CC5)nc(N4CCOCC4)nc32)CC1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCOC2)c1
InChIInChI=1S/C31H39N7O2.C29H36N6O2.C21H28N6O2.C19H21N5O3/c39-27(12-15-35-13-2-1-3-14-35)36-16-10-24(11-17-36)38-22-32-29-28(26-9-5-7-23-6-4-8-25(23)26)33-31(34-30(29)38)37-18-20-40-21-19-37;1-29(2,3)18-24(36)33-12-10-21(11-13-33)35-19-30-26-25(23-9-5-7-20-6-4-8-22(20)23)31-28(32-27(26)35)34-14-16-37-17-15-34;1-3-25(4-2)8-9-27-15-22-19-18(16-6-5-7-17(28)14-16)23-21(24-20(19)27)26-10-12-29-13-11-26;25-15-3-1-2-13(10-15)16-17-18(24(12-20-17)14-4-7-27-11-14)22-19(21-16)23-5-8-26-9-6-23/h4-5,7-9,22,24H,1-3,6,10-21H2;4-5,7-9,19,21H,6,10-18H2,1-3H3;5-7,14-15,28H,3-4,8-13H2,1-2H3;1-3,10,12,14,25H,4-9,11H2
InChIKeyVMSGKCGEQIFBBD-UHFFFAOYSA-N
MW1806.25 g/mol
LogP12.81
Rot. Bonds20

About 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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol (PubChem CID 123819187) has the molecular formula C100H124N24O9 and a molecular weight of 1806.25 g/mol. Its IUPAC name is 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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol.

Molecular Properties

Compound Name3-[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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
PubChem CID123819187
Molecular FormulaC100H124N24O9
Molecular Weight1806.25 g/mol
Exact Mass1805.00
IUPAC Name3-[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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
SMILESCC(C)(C)CC(=O)N1CCC(n2cnc3c(-c4cccc5c4C=CC5)nc(N4CCOCC4)nc32)CC1.CCN(CC)CCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.O=C(CCN1CCCCC1)N1CCC(n2cnc3c(-c4cccc5c4C=CC5)nc(N4CCOCC4)nc32)CC1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCOC2)c1
InChIInChI=1S/C31H39N7O2.C29H36N6O2.C21H28N6O2.C19H21N5O3/c39-27(12-15-35-13-2-1-3-14-35)36-16-10-24(11-17-36)38-22-32-29-28(26-9-5-7-23-6-4-8-25(23)26)33-31(34-30(29)38)37-18-20-40-21-19-37;1-29(2,3)18-24(36)33-12-10-21(11-13-33)35-19-30-26-25(23-9-5-7-20-6-4-8-22(20)23)31-28(32-27(26)35)34-14-16-37-17-15-34;1-3-25(4-2)8-9-27-15-22-19-18(16-6-5-7-17(28)14-16)23-21(24-20(19)27)26-10-12-29-13-11-26;25-15-3-1-2-13(10-15)16-17-18(24(12-20-17)14-4-7-27-11-14)22-19(21-16)23-5-8-26-9-6-23/h4-5,7-9,22,24H,1-3,6,10-21H2;4-5,7-9,19,21H,6,10-18H2,1-3H3;5-7,14-15,28H,3-4,8-13H2,1-2H3;1-3,10,12,14,25H,4-9,11H2
InChIKeyVMSGKCGEQIFBBD-UHFFFAOYSA-N
XLogP12.81
TPSA321.07 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001806.25
LogP ≤ 512.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Analyze 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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol 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
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
[4-[6-(3-Hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 58285281
Bis[2-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-4-methylpiperazin-1-yl]methanone
CID 87260832
2-[4-[6-(3-Hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-4-methylpiperazine-1-carbaldehyde
CID 87260833
3-[9-[2-[3-[9-(2-Methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenyl]ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 91188953
3-(9-Cyclopentyl-2-morpholin-4-ylpurin-6-yl)phenol;3-[9-[[3-[(methyl-methylidene-oxo-lambda6-sulfanyl)methyl]phenyl]methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-9-prop-2-ynylpurin-6-yl)phenol
CID 123135909
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-[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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol?
The IUPAC name of 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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol (CID 123819187) is 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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol.
What is the SMILES notation for 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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol?
The canonical SMILES for 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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol is CC(C)(C)CC(=O)N1CCC(n2cnc3c(-c4cccc5c4C=CC5)nc(N4CCOCC4)nc32)CC1.CCN(CC)CCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.O=C(CCN1CCCCC1)N1CCC(n2cnc3c(-c4cccc5c4C=CC5)nc(N4CCOCC4)nc32)CC1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCOC2)c1.
What is the InChIKey of 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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol?
The InChIKey is VMSGKCGEQIFBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N7O2.C29H36N6O2.C21H28N6O2.C19H21N5O3/c39-27(12-15-35-13-2-1-3-14-35)36-16-10-24(11-17-36)38-22-32-29-28(26-9-5-7-23-6-4-8-25(23)26)33-31(34-30(29)38)37-18-20-40-21-19-37;1-29(2,3)18-24(36)33-12-10-21(11-13-33)35-19-30-26-25(23-9-5-7-20-6-4-8-22(20)23)31-28(32-27(26)35)34-14-16-37-17-15-34;1-3-25(4-2)8-9-27-15-22-19-18(16-6-5-7-17(28)14-16)23-21(24-20(19)27)26-10-12-29-13-11-26;25-15-3-1-2-13(10-15)16-17-18(24(12-20-17)14-4-7-27-11-14)22-19(21-16)23-5-8-26-9-6-23/h4-5,7-9,22,24H,1-3,6,10-21H2;4-5,7-9,19,21H,6,10-18H2,1-3H3;5-7,14-15,28H,3-4,8-13H2,1-2H3;1-3,10,12,14,25H,4-9,11H2.
What are the key properties of 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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol has a molecular weight of 1806.25 g/mol, XLogP of 12.81, 20 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol is sourced from PubChem (CID 123819187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).