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

C23H24N10 — CID 117089912

IUPAC6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
SMILESc1ccc2[nH]c(CNc3nc(Nc4cnccn4)nc4c3ncn4C3CCCCC3)nc2c1
InChIInChI=1S/C23H24N10/c1-2-6-15(7-3-1)33-14-27-20-21(26-13-19-28-16-8-4-5-9-17(16)29-19)31-23(32-22(20)33)30-18-12-24-10-11-25-18/h4-5,8-12,14-15H,1-3,6-7,13H2,(H,28,29)(H2,25,26,30,31,32)
InChIKeyZYXLIJLKPLBEQZ-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.35
Rot. Bonds6

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

6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine (PubChem CID 117089912) has the molecular formula C23H24N10 and a molecular weight of 440.52 g/mol. Its IUPAC name is 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
PubChem CID117089912
Molecular FormulaC23H24N10
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
SMILESc1ccc2[nH]c(CNc3nc(Nc4cnccn4)nc4c3ncn4C3CCCCC3)nc2c1
InChIInChI=1S/C23H24N10/c1-2-6-15(7-3-1)33-14-27-20-21(26-13-19-28-16-8-4-5-9-17(16)29-19)31-23(32-22(20)33)30-18-12-24-10-11-25-18/h4-5,8-12,14-15H,1-3,6-7,13H2,(H,28,29)(H2,25,26,30,31,32)
InChIKeyZYXLIJLKPLBEQZ-UHFFFAOYSA-N
XLogP4.35
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117085764
6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
CID 117093752
6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
CID 117089964
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-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-N-pyridin-2-ylpurine-2,6-diamine
CID 117093366
1-[3-[[9-cyclohexyl-2-(pyrazin-2-ylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117085284
6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine
CID 59552324
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
9-cyclohexyl-2-N-(4-imidazol-1-ylphenyl)-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117089131
9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117079255

Frequently Asked Questions

What is the IUPAC name of 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine?
The IUPAC name of 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine (CID 117089912) is 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine.
What is the SMILES notation for 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine?
The canonical SMILES for 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine is c1ccc2[nH]c(CNc3nc(Nc4cnccn4)nc4c3ncn4C3CCCCC3)nc2c1.
What is the InChIKey of 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine?
The InChIKey is ZYXLIJLKPLBEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N10/c1-2-6-15(7-3-1)33-14-27-20-21(26-13-19-28-16-8-4-5-9-17(16)29-19)31-23(32-22(20)33)30-18-12-24-10-11-25-18/h4-5,8-12,14-15H,1-3,6-7,13H2,(H,28,29)(H2,25,26,30,31,32).
What are the key properties of 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine?
6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine has a molecular weight of 440.52 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine is sourced from PubChem (CID 117089912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).