4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol

C24H33N7O — CID 70339849

IUPAC4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol
SMILESCCN(c1ccc(O)cc1)c1nc2cnc(NC3CCC(N)CC3)nc2n1C1CCCC1
InChIInChI=1S/C24H33N7O/c1-2-30(18-11-13-20(32)14-12-18)24-28-21-15-26-23(27-17-9-7-16(25)8-10-17)29-22(21)31(24)19-5-3-4-6-19/h11-17,19,32H,2-10,25H2,1H3,(H,26,27,29)
InChIKeyWDUSADOFMZRCMN-UHFFFAOYSA-N
MW435.58 g/mol
LogP4.49
Rot. Bonds6

About 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol

4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol (PubChem CID 70339849) has the molecular formula C24H33N7O and a molecular weight of 435.58 g/mol. Its IUPAC name is 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol.

Molecular Properties

Compound Name4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol
PubChem CID70339849
Molecular FormulaC24H33N7O
Molecular Weight435.58 g/mol
Exact Mass435.27
IUPAC Name4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol
SMILESCCN(c1ccc(O)cc1)c1nc2cnc(NC3CCC(N)CC3)nc2n1C1CCCC1
InChIInChI=1S/C24H33N7O/c1-2-30(18-11-13-20(32)14-12-18)24-28-21-15-26-23(27-17-9-7-16(25)8-10-17)29-22(21)31(24)19-5-3-4-6-19/h11-17,19,32H,2-10,25H2,1H3,(H,26,27,29)
InChIKeyWDUSADOFMZRCMN-UHFFFAOYSA-N
XLogP4.49
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol with MolForge

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Related Compounds

2-N-(4-aminocyclohexyl)-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine
CID 57392289
2-N-(4-aminocyclohexyl)-9-cyclopentyl-8-N-[(4-methoxyphenyl)methyl]purine-2,8-diamine;dihydrochloride
CID 70279442
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride
CID 142647471
[4-[[9-cyclopentyl-8-(2-fluoro-6-methylanilino)purin-2-yl]amino]cyclohexyl] 2-aminoacetate
CID 123490212
2-[amino-[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]ethanol
CID 18473413
acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 143885415
N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094339
4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 63208372
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-N-ethylpiperidine-1-carboxamide
CID 69021040
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-hexylpurine-2,6-diamine;dihydrochloride
CID 18473399

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol?
The IUPAC name of 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol (CID 70339849) is 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol.
What is the SMILES notation for 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol?
The canonical SMILES for 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol is CCN(c1ccc(O)cc1)c1nc2cnc(NC3CCC(N)CC3)nc2n1C1CCCC1.
What is the InChIKey of 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol?
The InChIKey is WDUSADOFMZRCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O/c1-2-30(18-11-13-20(32)14-12-18)24-28-21-15-26-23(27-17-9-7-16(25)8-10-17)29-22(21)31(24)19-5-3-4-6-19/h11-17,19,32H,2-10,25H2,1H3,(H,26,27,29).
What are the key properties of 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol?
4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol has a molecular weight of 435.58 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-8-yl]-ethylamino]phenol is sourced from PubChem (CID 70339849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).