4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine

C23H28N8O2 — CID 56645872

IUPAC4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine
SMILESCC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CNC3)n(C)c2n1
InChIInChI=1S/C23H28N8O2/c1-14(2)19-25-16-6-4-5-7-17(16)31(19)22-27-20-18(21(28-22)30-8-10-32-11-9-30)26-23(29(20)3)33-15-12-24-13-15/h4-7,14-15,24H,8-13H2,1-3H3
InChIKeyABAKIRYBWJHNIO-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.01
Rot. Bonds5

About 4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine

4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine (PubChem CID 56645872) has the molecular formula C23H28N8O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine.

Molecular Properties

Compound Name4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine
PubChem CID56645872
Molecular FormulaC23H28N8O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC Name4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine
SMILESCC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CNC3)n(C)c2n1
InChIInChI=1S/C23H28N8O2/c1-14(2)19-25-16-6-4-5-7-17(16)31(19)22-27-20-18(21(28-22)30-8-10-32-11-9-30)26-23(29(20)3)33-15-12-24-13-15/h4-7,14-15,24H,8-13H2,1-3H3
InChIKeyABAKIRYBWJHNIO-UHFFFAOYSA-N
XLogP2.01
TPSA95.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine 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

2-methyl-1-[3-[9-methyl-6-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-8-yl]oxyazetidin-1-yl]propan-2-ol
CID 56644633
9-methyl-6-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)purine-8-carbaldehyde
CID 86648270
1-[3-hydroxy-3-[9-methyl-6-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-8-yl]piperidin-1-yl]ethanone
CID 59605370
1-[8-[1-(1,1-dioxothian-4-yl)azetidin-3-yl]oxy-9-methyl-6-morpholin-4-ylpurin-2-yl]-N,N-dimethylbenzimidazol-2-amine
CID 56645874
[3-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]oxyazetidin-1-yl]-(1-methylcyclopropyl)methanone
CID 58054355
1-[(3R)-3-methoxy-3-[9-methyl-6-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-8-yl]piperidin-1-yl]ethanone
CID 59605607
1-[3-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]oxyazetidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 56646464
(1R)-1-[1-[9-methyl-8-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-6-morpholin-4-ylpurin-2-yl]benzimidazol-2-yl]ethanol
CID 123474978
4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]purin-6-yl]morpholine
CID 59605664
2-[1-[[2-[2-(1-methoxyethyl)benzimidazol-1-yl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]propan-2-ol
CID 67492428
4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-(piperidin-4-ylmethyl)purin-6-yl]morpholine
CID 59605636
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 4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine?
The IUPAC name of 4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine (CID 56645872) is 4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine.
What is the SMILES notation for 4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine?
The canonical SMILES for 4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine is CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CNC3)n(C)c2n1.
What is the InChIKey of 4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine?
The InChIKey is ABAKIRYBWJHNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2/c1-14(2)19-25-16-6-4-5-7-17(16)31(19)22-27-20-18(21(28-22)30-8-10-32-11-9-30)26-23(29(20)3)33-15-12-24-13-15/h4-7,14-15,24H,8-13H2,1-3H3.
What are the key properties of 4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine?
4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine has a molecular weight of 448.53 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(azetidin-3-yloxy)-9-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-6-yl]morpholine is sourced from PubChem (CID 56645872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).