2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine

C24H32N8O — CID 59606075

IUPAC2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine
SMILESCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CNCC(C)(C)C)n(C)c2n1
InChIInChI=1S/C24H32N8O/c1-16-26-17-8-6-7-9-18(17)32(16)23-28-21-20(22(29-23)31-10-12-33-13-11-31)27-19(30(21)5)14-25-15-24(2,3)4/h6-9,25H,10-15H2,1-5H3
InChIKeyDTNHLPOKPBPBJE-UHFFFAOYSA-N
MW448.58 g/mol
LogP2.98
Rot. Bonds5

About 2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine

2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine (PubChem CID 59606075) has the molecular formula C24H32N8O and a molecular weight of 448.58 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine
PubChem CID59606075
Molecular FormulaC24H32N8O
Molecular Weight448.58 g/mol
Exact Mass448.27
IUPAC Name2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine
SMILESCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CNCC(C)(C)C)n(C)c2n1
InChIInChI=1S/C24H32N8O/c1-16-26-17-8-6-7-9-18(17)32(16)23-28-21-20(22(29-23)31-10-12-33-13-11-31)27-19(30(21)5)14-25-15-24(2,3)4/h6-9,25H,10-15H2,1-5H3
InChIKeyDTNHLPOKPBPBJE-UHFFFAOYSA-N
XLogP2.98
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-pyrazin-2-ylethanamine
CID 59605483
N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine
CID 151579272
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
2,6-dimethyl-4-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]morpholine
CID 59605739
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-4-ylmethyl)purin-6-yl]morpholine
CID 59605636
2-hydroxy-2-methyl-1-[3-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]azetidin-1-yl]propan-1-one
CID 59605209
4-[8-[(4-cyclobutylpiperazin-1-yl)methyl]-9-methyl-2-(2-methylbenzimidazol-1-yl)purin-6-yl]morpholine
CID 67492671
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-methyl-1-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]methanol
CID 59605214
2,2-dimethyl-4-[2-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]ethyl]morpholine
CID 59605985

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine (CID 59606075) is 2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine is Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CNCC(C)(C)C)n(C)c2n1.
What is the InChIKey of 2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine?
The InChIKey is DTNHLPOKPBPBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O/c1-16-26-17-8-6-7-9-18(17)32(16)23-28-21-20(22(29-23)31-10-12-33-13-11-31)27-19(30(21)5)14-25-15-24(2,3)4/h6-9,25H,10-15H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine?
2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine has a molecular weight of 448.58 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine is sourced from PubChem (CID 59606075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).