6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine

C25H27N9 — CID 117094563

IUPAC6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine
SMILESCn1c(Nc2nc3ncnc(NC4CCN(Cc5ccccc5)CC4)c3[nH]2)nc2ccccc21
InChIInChI=1S/C25H27N9/c1-33-20-10-6-5-9-19(20)29-25(33)32-24-30-21-22(26-16-27-23(21)31-24)28-18-11-13-34(14-12-18)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H3,26,27,28,29,30,31,32)
InChIKeyLNFFPXVMXNCBSG-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.06
Rot. Bonds6

About 6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine

6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine (PubChem CID 117094563) has the molecular formula C25H27N9 and a molecular weight of 453.55 g/mol. Its IUPAC name is 6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine.

Molecular Properties

Compound Name6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine
PubChem CID117094563
Molecular FormulaC25H27N9
Molecular Weight453.55 g/mol
Exact Mass453.24
IUPAC Name6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine
SMILESCn1c(Nc2nc3ncnc(NC4CCN(Cc5ccccc5)CC4)c3[nH]2)nc2ccccc21
InChIInChI=1S/C25H27N9/c1-33-20-10-6-5-9-19(20)29-25(33)32-24-30-21-22(26-16-27-23(21)31-24)28-18-11-13-34(14-12-18)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H3,26,27,28,29,30,31,32)
InChIKeyLNFFPXVMXNCBSG-UHFFFAOYSA-N
XLogP4.06
TPSA99.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 117085648
N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 162366578
N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane
CID 91532309
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
CID 2808856
N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
CID 90925941
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135719651
6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine
CID 117092148
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine
CID 117083511
4-N-(1-benzylpiperidin-4-yl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 113258960
1-benzyl-N-(1H-pyrazol-4-yl)piperidin-4-amine
CID 43540095

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine?
The IUPAC name of 6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine (CID 117094563) is 6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine.
What is the SMILES notation for 6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine?
The canonical SMILES for 6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine is Cn1c(Nc2nc3ncnc(NC4CCN(Cc5ccccc5)CC4)c3[nH]2)nc2ccccc21.
What is the InChIKey of 6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine?
The InChIKey is LNFFPXVMXNCBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9/c1-33-20-10-6-5-9-19(20)29-25(33)32-24-30-21-22(26-16-27-23(21)31-24)28-18-11-13-34(14-12-18)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H3,26,27,28,29,30,31,32).
What are the key properties of 6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine?
6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine has a molecular weight of 453.55 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine is sourced from PubChem (CID 117094563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).