2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine

C26H34N8O2 — CID 59605985

IUPAC2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine
SMILESCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CCN3CCOC(C)(C)C3)n(C)c2n1
InChIInChI=1S/C26H34N8O2/c1-18-27-19-7-5-6-8-20(19)34(18)25-29-23-22(24(30-25)33-12-14-35-15-13-33)28-21(31(23)4)9-10-32-11-16-36-26(2,3)17-32/h5-8H,9-17H2,1-4H3
InChIKeyDEZAWGXQASFUAU-UHFFFAOYSA-N
MW490.61 g/mol
LogP2.50
Rot. Bonds5

About 2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine

2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine (PubChem CID 59605985) has the molecular formula C26H34N8O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine
PubChem CID59605985
Molecular FormulaC26H34N8O2
Molecular Weight490.61 g/mol
Exact Mass490.28
IUPAC Name2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine
SMILESCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CCN3CCOC(C)(C)C3)n(C)c2n1
InChIInChI=1S/C26H34N8O2/c1-18-27-19-7-5-6-8-20(19)34(18)25-29-23-22(24(30-25)33-12-14-35-15-13-33)28-21(31(23)4)9-10-32-11-16-36-26(2,3)17-32/h5-8H,9-17H2,1-4H3
InChIKeyDEZAWGXQASFUAU-UHFFFAOYSA-N
XLogP2.50
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine with MolForge

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Related Compounds

4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine
CID 59605899
4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-[(3-morpholin-4-ylazetidin-1-yl)methyl]purin-6-yl]morpholine
CID 59605946
4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-(piperidin-1-ylmethyl)purin-6-yl]morpholine
CID 69087746
4-[8-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-9-methyl-2-(2-methylbenzimidazol-1-yl)purin-6-yl]morpholine
CID 90718796
[4-methyl-1-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]methanol
CID 59605214
2,6-dimethyl-4-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]morpholine
CID 59605739
4-[8-[(4-cyclobutylpiperazin-1-yl)methyl]-9-methyl-2-(2-methylbenzimidazol-1-yl)purin-6-yl]morpholine
CID 67492671
2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine
CID 59606075
4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-(piperidin-4-ylmethyl)purin-6-yl]morpholine
CID 59605636
N-[2-[1-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]propan-2-yl]acetamide
CID 59605896
4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]purin-6-yl]morpholine
CID 59605664
N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine
CID 151579272

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine?
The IUPAC name of 2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine (CID 59605985) is 2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine.
What is the SMILES notation for 2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine?
The canonical SMILES for 2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine is Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CCN3CCOC(C)(C)C3)n(C)c2n1.
What is the InChIKey of 2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine?
The InChIKey is DEZAWGXQASFUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O2/c1-18-27-19-7-5-6-8-20(19)34(18)25-29-23-22(24(30-25)33-12-14-35-15-13-33)28-21(31(23)4)9-10-32-11-16-36-26(2,3)17-32/h5-8H,9-17H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine?
2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine has a molecular weight of 490.61 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine is sourced from PubChem (CID 59605985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).