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

C24H31N9O — CID 151579272

IUPACN-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine
SMILESCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CNC3CCNCC3)n(C)c2n1
InChIInChI=1S/C24H31N9O/c1-16-27-18-5-3-4-6-19(18)33(16)24-29-22-21(23(30-24)32-11-13-34-14-12-32)28-20(31(22)2)15-26-17-7-9-25-10-8-17/h3-6,17,25-26H,7-15H2,1-2H3
InChIKeyQGDBQROXHWMORI-UHFFFAOYSA-N
MW461.57 g/mol
LogP1.69
Rot. Bonds5

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

N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine (PubChem CID 151579272) has the molecular formula C24H31N9O and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine
PubChem CID151579272
Molecular FormulaC24H31N9O
Molecular Weight461.57 g/mol
Exact Mass461.27
IUPAC NameN-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine
SMILESCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CNC3CCNCC3)n(C)c2n1
InChIInChI=1S/C24H31N9O/c1-16-27-18-5-3-4-6-19(18)33(16)24-29-22-21(23(30-24)32-11-13-34-14-12-32)28-20(31(22)2)15-26-17-7-9-25-10-8-17/h3-6,17,25-26H,7-15H2,1-2H3
InChIKeyQGDBQROXHWMORI-UHFFFAOYSA-N
XLogP1.69
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-(piperidin-4-ylmethyl)purin-6-yl]morpholine
CID 59605636
2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine
CID 59606075
4-[8-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-9-methyl-2-(2-methylbenzimidazol-1-yl)purin-6-yl]morpholine
CID 90718796
4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-(piperidin-1-ylmethyl)purin-6-yl]morpholine
CID 69087746
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-[8-[(4-cyclobutylpiperazin-1-yl)methyl]-9-methyl-2-(2-methylbenzimidazol-1-yl)purin-6-yl]morpholine
CID 67492671
N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-pyrazin-2-ylethanamine
CID 59605483
4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]purin-6-yl]morpholine
CID 59605664
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 N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine?
The IUPAC name of N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine (CID 151579272) is N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine is Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CNC3CCNCC3)n(C)c2n1.
What is the InChIKey of N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine?
The InChIKey is QGDBQROXHWMORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N9O/c1-16-27-18-5-3-4-6-19(18)33(16)24-29-22-21(23(30-24)32-11-13-34-14-12-32)28-20(31(22)2)15-26-17-7-9-25-10-8-17/h3-6,17,25-26H,7-15H2,1-2H3.
What are the key properties of N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine?
N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine has a molecular weight of 461.57 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 151579272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).