6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol

C26H45N7O — CID 142647456

IUPAC6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol
SMILESCC(C)C(CCCC(C)(C)O)Nc1nc(NC2CCC(N)CC2)nc2c1ncn2C1CCCC1
InChIInChI=1S/C26H45N7O/c1-17(2)21(10-7-15-26(3,4)34)30-23-22-24(33(16-28-22)20-8-5-6-9-20)32-25(31-23)29-19-13-11-18(27)12-14-19/h16-21,34H,5-15,27H2,1-4H3,(H2,29,30,31,32)
InChIKeyPUPNFQDJRLAQSH-UHFFFAOYSA-N
MW471.69 g/mol
LogP5.00
Rot. Bonds10

About 6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol

6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol (PubChem CID 142647456) has the molecular formula C26H45N7O and a molecular weight of 471.69 g/mol. Its IUPAC name is 6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol.

Molecular Properties

Compound Name6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol
PubChem CID142647456
Molecular FormulaC26H45N7O
Molecular Weight471.69 g/mol
Exact Mass471.37
IUPAC Name6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol
SMILESCC(C)C(CCCC(C)(C)O)Nc1nc(NC2CCC(N)CC2)nc2c1ncn2C1CCCC1
InChIInChI=1S/C26H45N7O/c1-17(2)21(10-7-15-26(3,4)34)30-23-22-24(33(16-28-22)20-8-5-6-9-20)32-25(31-23)29-19-13-11-18(27)12-14-19/h16-21,34H,5-15,27H2,1-4H3,(H2,29,30,31,32)
InChIKeyPUPNFQDJRLAQSH-UHFFFAOYSA-N
XLogP5.00
TPSA113.91 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.69
LogP ≤ 55.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-hexylpurine-2,6-diamine;dihydrochloride
CID 18473399
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-(cyclopropylmethyl)piperidin-4-yl]purine-2,6-diamine
CID 22896340
4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;dihydrochloride
CID 69022365
[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-(4-tert-butylphenyl)methanone
CID 10187811
2-N-(4-aminocyclohexyl)-6-N-[(4-chlorophenyl)methyl]-9-cyclopentylpurine-2,6-diamine
CID 18473431
1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pentan-1-one
CID 10144126
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-(4-ethoxybutyl)piperidin-4-yl]purine-2,6-diamine
CID 10195908
ethyl 3-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-3-oxopropanoate
CID 10121127
4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-N-ethylpiperidine-1-carboxamide
CID 69021040
1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pentan-1-one;dihydrochloride
CID 10144125
[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl] 2-methylpropyl carbonate;dihydrochloride
CID 69020847
6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine
CID 10128431

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol?
The IUPAC name of 6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol (CID 142647456) is 6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol.
What is the SMILES notation for 6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol?
The canonical SMILES for 6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol is CC(C)C(CCCC(C)(C)O)Nc1nc(NC2CCC(N)CC2)nc2c1ncn2C1CCCC1.
What is the InChIKey of 6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol?
The InChIKey is PUPNFQDJRLAQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N7O/c1-17(2)21(10-7-15-26(3,4)34)30-23-22-24(33(16-28-22)20-8-5-6-9-20)32-25(31-23)29-19-13-11-18(27)12-14-19/h16-21,34H,5-15,27H2,1-4H3,(H2,29,30,31,32).
What are the key properties of 6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol?
6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol has a molecular weight of 471.69 g/mol, XLogP of 5.00, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2,7-dimethyloctan-2-ol is sourced from PubChem (CID 142647456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).