6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine

C23H37N9 — CID 117081850

IUPAC6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NCCN(C(C)C)C(C)C)nc(Nc2nc3ccccc3n2C)n1
InChIInChI=1S/C23H37N9/c1-8-31(9-2)23-27-20(24-14-15-32(16(3)4)17(5)6)26-21(29-23)28-22-25-18-12-10-11-13-19(18)30(22)7/h10-13,16-17H,8-9,14-15H2,1-7H3,(H2,24,25,26,27,28,29)
InChIKeyLRDMIDBGSSYGSG-UHFFFAOYSA-N
MW439.61 g/mol
LogP3.88
Rot. Bonds11

About 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine

6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 117081850) has the molecular formula C23H37N9 and a molecular weight of 439.61 g/mol. Its IUPAC name is 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID117081850
Molecular FormulaC23H37N9
Molecular Weight439.61 g/mol
Exact Mass439.32
IUPAC Name6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NCCN(C(C)C)C(C)C)nc(Nc2nc3ccccc3n2C)n1
InChIInChI=1S/C23H37N9/c1-8-31(9-2)23-27-20(24-14-15-32(16(3)4)17(5)6)26-21(29-23)28-22-25-18-12-10-11-13-19(18)30(22)7/h10-13,16-17H,8-9,14-15H2,1-7H3,(H2,24,25,26,27,28,29)
InChIKeyLRDMIDBGSSYGSG-UHFFFAOYSA-N
XLogP3.88
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.61
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 117089791
1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111248391
N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine
CID 114788824
2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol
CID 117089895
2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 117087560
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
2-N-(1-methylbenzimidazol-2-yl)-6-N-(2-phenoxyethyl)-9-propan-2-ylpurine-2,6-diamine
CID 117085779
5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol
CID 107269271
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 117088419
N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine
CID 43194800
6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-ethyl-9-phenylpurine-2,6-diamine
CID 117091747
1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide
CID 117080228

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine (CID 117081850) is 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(NCCN(C(C)C)C(C)C)nc(Nc2nc3ccccc3n2C)n1.
What is the InChIKey of 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LRDMIDBGSSYGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N9/c1-8-31(9-2)23-27-20(24-14-15-32(16(3)4)17(5)6)26-21(29-23)28-22-25-18-12-10-11-13-19(18)30(22)7/h10-13,16-17H,8-9,14-15H2,1-7H3,(H2,24,25,26,27,28,29).
What are the key properties of 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 439.61 g/mol, XLogP of 3.88, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 117081850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).