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

C25H28N10O — CID 59605483

IUPACN-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-pyrazin-2-ylethanamine
SMILESCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CNCCc3cnccn3)n(C)c2n1
InChIInChI=1S/C25H28N10O/c1-17-29-19-5-3-4-6-20(19)35(17)25-31-23-22(24(32-25)34-11-13-36-14-12-34)30-21(33(23)2)16-26-8-7-18-15-27-9-10-28-18/h3-6,9-10,15,26H,7-8,11-14,16H2,1-2H3
InChIKeyUUDJMBLLAZPNSM-UHFFFAOYSA-N
MW484.57 g/mol
LogP1.97
Rot. Bonds7

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

N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-pyrazin-2-ylethanamine (PubChem CID 59605483) has the molecular formula C25H28N10O and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-pyrazin-2-ylethanamine.

Molecular Properties

Compound NameN-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-pyrazin-2-ylethanamine
PubChem CID59605483
Molecular FormulaC25H28N10O
Molecular Weight484.57 g/mol
Exact Mass484.24
IUPAC NameN-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-pyrazin-2-ylethanamine
SMILESCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CNCCc3cnccn3)n(C)c2n1
InChIInChI=1S/C25H28N10O/c1-17-29-19-5-3-4-6-20(19)35(17)25-31-23-22(24(32-25)34-11-13-36-14-12-34)30-21(33(23)2)16-26-8-7-18-15-27-9-10-28-18/h3-6,9-10,15,26H,7-8,11-14,16H2,1-2H3
InChIKeyUUDJMBLLAZPNSM-UHFFFAOYSA-N
XLogP1.97
TPSA111.70 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.57
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-pyrazin-2-ylethanamine?
The IUPAC name of N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-pyrazin-2-ylethanamine (CID 59605483) is N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-pyrazin-2-ylethanamine.
What is the SMILES notation for N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-pyrazin-2-ylethanamine?
The canonical SMILES for N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-pyrazin-2-ylethanamine is Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CNCCc3cnccn3)n(C)c2n1.
What is the InChIKey of N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-pyrazin-2-ylethanamine?
The InChIKey is UUDJMBLLAZPNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N10O/c1-17-29-19-5-3-4-6-20(19)35(17)25-31-23-22(24(32-25)34-11-13-36-14-12-34)30-21(33(23)2)16-26-8-7-18-15-27-9-10-28-18/h3-6,9-10,15,26H,7-8,11-14,16H2,1-2H3.
What are the key properties of N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-pyrazin-2-ylethanamine?
N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-pyrazin-2-ylethanamine has a molecular weight of 484.57 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 11 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]-2-pyrazin-2-ylethanamine is sourced from PubChem (CID 59605483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).