2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride

C23H33ClN8 — CID 142647471

IUPAC2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride
SMILESCCN(c1ccncc1)c1nc(NC2CCC(N)CC2)nc2c1ncn2C1CCCC1.Cl
InChIInChI=1S/C23H32N8.ClH/c1-2-30(19-11-13-25-14-12-19)21-20-22(31(15-26-20)18-5-3-4-6-18)29-23(28-21)27-17-9-7-16(24)8-10-17;/h11-18H,2-10,24H2,1H3,(H,27,28,29);1H
InChIKeyNSJTUZOAWKGOIC-UHFFFAOYSA-N
MW457.03 g/mol
LogP4.60
Rot. Bonds6

About 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride

2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride (PubChem CID 142647471) has the molecular formula C23H33ClN8 and a molecular weight of 457.03 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride
PubChem CID142647471
Molecular FormulaC23H33ClN8
Molecular Weight457.03 g/mol
Exact Mass456.25
IUPAC Name2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride
SMILESCCN(c1ccncc1)c1nc(NC2CCC(N)CC2)nc2c1ncn2C1CCCC1.Cl
InChIInChI=1S/C23H32N8.ClH/c1-2-30(19-11-13-25-14-12-19)21-20-22(31(15-26-20)18-5-3-4-6-18)29-23(28-21)27-17-9-7-16(24)8-10-17;/h11-18H,2-10,24H2,1H3,(H,27,28,29);1H
InChIKeyNSJTUZOAWKGOIC-UHFFFAOYSA-N
XLogP4.60
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.03
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

2-[amino-[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]ethanol
CID 18473413
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-hexylpurine-2,6-diamine;dihydrochloride
CID 18473399
2-N-(4-aminocyclohexyl)-6-N-(1-butoxybutyl)-9-cyclopentyl-6-N-piperidin-1-ylpurine-2,6-diamine
CID 70033581
4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine
CID 18473325
2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine
CID 18473403
6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine
CID 10128431
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-(cyclopropylmethyl)piperidin-4-yl]purine-2,6-diamine
CID 22896340
2-N-(4-aminocyclohexyl)-6-N-[(4-chlorophenyl)methyl]-9-cyclopentylpurine-2,6-diamine
CID 18473431
acetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine
CID 69349660
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-[3-(dibutylamino)propyl]piperidin-4-yl]purine-2,6-diamine
CID 10239878
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]-N-ethylpiperidine-1-carboxamide
CID 69021040

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride?
The IUPAC name of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride (CID 142647471) is 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride is CCN(c1ccncc1)c1nc(NC2CCC(N)CC2)nc2c1ncn2C1CCCC1.Cl.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride?
The InChIKey is NSJTUZOAWKGOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8.ClH/c1-2-30(19-11-13-25-14-12-19)21-20-22(31(15-26-20)18-5-3-4-6-18)29-23(28-21)27-17-9-7-16(24)8-10-17;/h11-18H,2-10,24H2,1H3,(H,27,28,29);1H.
What are the key properties of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride?
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride has a molecular weight of 457.03 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride is sourced from PubChem (CID 142647471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).