6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine

C23H30N6 — CID 59552324

IUPAC6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine
SMILESc1ccc(CNc2nc(NC3CCCCC3)nc3c2ncn3C2CCCC2)cc1
InChIInChI=1S/C23H30N6/c1-3-9-17(10-4-1)15-24-21-20-22(29(16-25-20)19-13-7-8-14-19)28-23(27-21)26-18-11-5-2-6-12-18/h1,3-4,9-10,16,18-19H,2,5-8,11-15H2,(H2,24,26,27,28)
InChIKeyIKZNNGOEWWNVHH-UHFFFAOYSA-N
MW390.54 g/mol
LogP5.30
Rot. Bonds6

About 6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine

6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine (PubChem CID 59552324) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine
PubChem CID59552324
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine
SMILESc1ccc(CNc2nc(NC3CCCCC3)nc3c2ncn3C2CCCC2)cc1
InChIInChI=1S/C23H30N6/c1-3-9-17(10-4-1)15-24-21-20-22(29(16-25-20)19-13-7-8-14-19)28-23(27-21)26-18-11-5-2-6-12-18/h1,3-4,9-10,16,18-19H,2,5-8,11-15H2,(H2,24,26,27,28)
InChIKeyIKZNNGOEWWNVHH-UHFFFAOYSA-N
XLogP5.30
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.54
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(1R,3S)-4-amino-3-fluorocyclohexyl]-6-N-benzyl-9-cyclopentylpurine-2,6-diamine
CID 69348559
N-benzyl-9-cyclopentyl-2-iodopurin-6-amine
CID 6538908
N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine
CID 118671240
6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
CID 117093752
2-N-(4-aminocyclohexyl)-6-N-[(4-chlorophenyl)methyl]-9-cyclopentylpurine-2,6-diamine
CID 18473431
2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine
CID 117091774
4-[[9-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol
CID 117089373
4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol
CID 90332835
6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile
CID 24778185
2-N-(4-aminocyclohexyl)-6-N-benzyl-9-(oxolan-3-yl)purine-2,6-diamine;dihydrochloride
CID 18457591
2-N-(4-aminocyclohexyl)-6-N-[(1-benzylpiperidin-4-yl)methyl]-9-cyclopentylpurine-2,6-diamine
CID 22896358
3-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]benzamide;dihydrochloride
CID 18457555

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine?
The IUPAC name of 6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine (CID 59552324) is 6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine.
What is the SMILES notation for 6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine?
The canonical SMILES for 6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine is c1ccc(CNc2nc(NC3CCCCC3)nc3c2ncn3C2CCCC2)cc1.
What is the InChIKey of 6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine?
The InChIKey is IKZNNGOEWWNVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-3-9-17(10-4-1)15-24-21-20-22(29(16-25-20)19-13-7-8-14-19)28-23(27-21)26-18-11-5-2-6-12-18/h1,3-4,9-10,16,18-19H,2,5-8,11-15H2,(H2,24,26,27,28).
What are the key properties of 6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine?
6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine has a molecular weight of 390.54 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine is sourced from PubChem (CID 59552324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).