2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine

C26H32N8O — CID 73350613

IUPAC2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine
SMILESNC1CCC(Nc2nc(NCc3ccc(-c4ccoc4)nc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H32N8O/c27-19-6-8-20(9-7-19)31-26-32-24(23-25(33-26)34(16-30-23)21-3-1-2-4-21)29-14-17-5-10-22(28-13-17)18-11-12-35-15-18/h5,10-13,15-16,19-21H,1-4,6-9,14,27H2,(H2,29,31,32,33)
InChIKeyYPWWJCNJBUUFOQ-UHFFFAOYSA-N
MW472.60 g/mol
LogP4.89
Rot. Bonds7

About 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine

2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine (PubChem CID 73350613) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine
PubChem CID73350613
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine
SMILESNC1CCC(Nc2nc(NCc3ccc(-c4ccoc4)nc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H32N8O/c27-19-6-8-20(9-7-19)31-26-32-24(23-25(33-26)34(16-30-23)21-3-1-2-4-21)29-14-17-5-10-22(28-13-17)18-11-12-35-15-18/h5,10-13,15-16,19-21H,1-4,6-9,14,27H2,(H2,29,31,32,33)
InChIKeyYPWWJCNJBUUFOQ-UHFFFAOYSA-N
XLogP4.89
TPSA119.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine with MolForge

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Related Compounds

Roscovitine derivative 1
CID 73353575
2-(4-allyloxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine
CID 10117496
7-(2-furylmethyl)-N-[3-(1H-imidazol-1-yl)propyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 2930286
6-Furan-2-yl-9-(3-phenyl-propyl)-9H-purin-2-ylamine
CID 9858219
2-(3-(allyloxy)phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-8-amine
CID 10141451
5-(2-furyl)-6-pyrimidin-4-yl-3H-imidazo[4,5-b]pyridine
CID 11952504
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]furan-3-carboxamide
CID 16678157
2-N-(4-aminocyclohexyl)-6-N-[[4-(furan-2-yl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine
CID 20609846
2-[2-(4-fluorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025783
N-(2,6-dimethylbenzyl)-6-(furan-2-yl)-2,3-dimethylimidazo[1,2-a]pyridin-8-amine
CID 24890348
4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 25165372
3-(6-ethoxy-3-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 42602630

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine?
The IUPAC name of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine (CID 73350613) is 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine is NC1CCC(Nc2nc(NCc3ccc(-c4ccoc4)nc3)c3ncn(C4CCCC4)c3n2)CC1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine?
The InChIKey is YPWWJCNJBUUFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c27-19-6-8-20(9-7-19)31-26-32-24(23-25(33-26)34(16-30-23)21-3-1-2-4-21)29-14-17-5-10-22(28-13-17)18-11-12-35-15-18/h5,10-13,15-16,19-21H,1-4,6-9,14,27H2,(H2,29,31,32,33).
What are the key properties of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine?
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine has a molecular weight of 472.60 g/mol, XLogP of 4.89, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purine-2,6-diamine is sourced from PubChem (CID 73350613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).