6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine

C24H25N9 — CID 117085764

IUPAC6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine
SMILESc1ccc2[nH]c(CNc3nc(Nc4ccncc4)nc4c3ncn4C3CCCCC3)nc2c1
InChIInChI=1S/C24H25N9/c1-2-6-17(7-3-1)33-15-27-21-22(26-14-20-29-18-8-4-5-9-19(18)30-20)31-24(32-23(21)33)28-16-10-12-25-13-11-16/h4-5,8-13,15,17H,1-3,6-7,14H2,(H,29,30)(H2,25,26,28,31,32)
InChIKeyMQUGHFLCILIDKK-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.96
Rot. Bonds6

About 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine

6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine (PubChem CID 117085764) has the molecular formula C24H25N9 and a molecular weight of 439.53 g/mol. Its IUPAC name is 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine
PubChem CID117085764
Molecular FormulaC24H25N9
Molecular Weight439.53 g/mol
Exact Mass439.22
IUPAC Name6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine
SMILESc1ccc2[nH]c(CNc3nc(Nc4ccncc4)nc4c3ncn4C3CCCCC3)nc2c1
InChIInChI=1S/C24H25N9/c1-2-6-17(7-3-1)33-15-27-21-22(26-14-20-29-18-8-4-5-9-19(18)30-20)31-24(32-23(21)33)28-16-10-12-25-13-11-16/h4-5,8-13,15,17H,1-3,6-7,14H2,(H,29,30)(H2,25,26,28,31,32)
InChIKeyMQUGHFLCILIDKK-UHFFFAOYSA-N
XLogP4.96
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine with MolForge

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Related Compounds

6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
CID 117089912
6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
CID 117089964
9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117079255
N-(1H-benzimidazol-2-ylmethyl)-9-cyclopentyl-2-morpholin-4-ylpurin-6-amine
CID 50930765
4-[6-(1H-benzimidazol-2-ylmethylamino)-9-cyclohexylpurin-2-yl]-N-cyclopropylbenzamide
CID 117081549
6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
CID 117093752
9-cyclohexyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117091730
6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine
CID 59552324
6-N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-N-pyridin-2-ylpurine-2,6-diamine
CID 117093366
9-cyclohexyl-2-N-(4-imidazol-1-ylphenyl)-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117089131
2-[6-(1H-benzimidazol-2-ylmethylamino)-2-pyrrolidin-1-ylpurin-9-yl]cyclohexan-1-one
CID 130229634
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-(1-methylbenzimidazol-2-yl)-9-phenylpurine-2,6-diamine
CID 117092617

Frequently Asked Questions

What is the IUPAC name of 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine?
The IUPAC name of 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine (CID 117085764) is 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine.
What is the SMILES notation for 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine?
The canonical SMILES for 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine is c1ccc2[nH]c(CNc3nc(Nc4ccncc4)nc4c3ncn4C3CCCCC3)nc2c1.
What is the InChIKey of 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine?
The InChIKey is MQUGHFLCILIDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9/c1-2-6-17(7-3-1)33-15-27-21-22(26-14-20-29-18-8-4-5-9-19(18)30-20)31-24(32-23(21)33)28-16-10-12-25-13-11-16/h4-5,8-13,15,17H,1-3,6-7,14H2,(H,29,30)(H2,25,26,28,31,32).
What are the key properties of 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine?
6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine has a molecular weight of 439.53 g/mol, XLogP of 4.96, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine is sourced from PubChem (CID 117085764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).