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

C63H73N15O6 — CID 123783060

IUPAC4-[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
SMILESCC(C)Cn1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.COCC(C)n1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.COCC(C)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21
InChIInChI=1S/C22H25N5O2.C22H25N5O.C19H23N5O3/c1-15(13-28-2)27-14-23-20-19(18-8-4-6-16-5-3-7-17(16)18)24-22(25-21(20)27)26-9-11-29-12-10-26;1-15(2)13-27-14-23-20-19(18-8-4-6-16-5-3-7-17(16)18)24-22(25-21(20)27)26-9-11-28-12-10-26;1-13(11-26-2)24-12-20-17-16(14-4-3-5-15(25)10-14)21-19(22-18(17)24)23-6-8-27-9-7-23/h3-4,6-8,14-15H,5,9-13H2,1-2H3;3-4,6-8,14-15H,5,9-13H2,1-2H3;3-5,10,12-13,25H,6-9,11H2,1-2H3
InChIKeyLWIZEFLPCIFALG-UHFFFAOYSA-N
MW1136.38 g/mol
LogP8.90
Rot. Bonds14

About 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

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 (PubChem CID 123783060) has the molecular formula C63H73N15O6 and a molecular weight of 1136.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID123783060
Molecular FormulaC63H73N15O6
Molecular Weight1136.38 g/mol
Exact Mass1135.59
IUPAC Name4-[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
SMILESCC(C)Cn1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.COCC(C)n1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.COCC(C)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21
InChIInChI=1S/C22H25N5O2.C22H25N5O.C19H23N5O3/c1-15(13-28-2)27-14-23-20-19(18-8-4-6-16-5-3-7-17(16)18)24-22(25-21(20)27)26-9-11-29-12-10-26;1-15(2)13-27-14-23-20-19(18-8-4-6-16-5-3-7-17(16)18)24-22(25-21(20)27)26-9-11-28-12-10-26;1-13(11-26-2)24-12-20-17-16(14-4-3-5-15(25)10-14)21-19(22-18(17)24)23-6-8-27-9-7-23/h3-4,6-8,14-15H,5,9-13H2,1-2H3;3-4,6-8,14-15H,5,9-13H2,1-2H3;3-5,10,12-13,25H,6-9,11H2,1-2H3
InChIKeyLWIZEFLPCIFALG-UHFFFAOYSA-N
XLogP8.90
TPSA206.90 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001136.38
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

3-(9-((1-benzylpiperidin-4-yl)methyl)-6-morpholino-9H-purin-2-yl)phenol
CID 25070553
3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenol
CID 25070554
3-(6-morpholino-9-(1-((6-morpholinopyridin-3-yl)methyl)piperidin-4-yl)-9H-purin-2-yl)phenol
CID 25073388
3-(9-Benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol
CID 25255554
3-[9-[(2,6-Difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25255558
3-[9-[(3-Fluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25255752
3-[9-[(3,5-Difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25256059
3-[9-[(3-Fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 58102462
3-[9-[[4-(1,1-Difluoroethyl)phenyl]methyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 58102485
3-[9-(1-{[4-(dimethylamino)-1-naphthyl]methyl}piperidin-4-yl)-6-morpholin-4-yl-9H-purin-2-yl]phenol
CID 25073389
3-(9-Benzyl-2-morpholin-4-ylpurin-6-yl)phenol
CID 25222717
3-[8-Benzyl-2-morpholin-4-yl-9-(oxan-2-yl)purin-6-yl]phenol
CID 25255261

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Cn1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.COCC(C)n1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.COCC(C)n1cnc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc21.
What is the InChIKey of 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?
The InChIKey is LWIZEFLPCIFALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2.C22H25N5O.C19H23N5O3/c1-15(13-28-2)27-14-23-20-19(18-8-4-6-16-5-3-7-17(16)18)24-22(25-21(20)27)26-9-11-29-12-10-26;1-15(2)13-27-14-23-20-19(18-8-4-6-16-5-3-7-17(16)18)24-22(25-21(20)27)26-9-11-28-12-10-26;1-13(11-26-2)24-12-20-17-16(14-4-3-5-15(25)10-14)21-19(22-18(17)24)23-6-8-27-9-7-23/h3-4,6-8,14-15H,5,9-13H2,1-2H3;3-4,6-8,14-15H,5,9-13H2,1-2H3;3-5,10,12-13,25H,6-9,11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1136.38 g/mol, XLogP of 8.90, 14 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123783060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).