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

C26H32N8O — CID 73353575

IUPAC2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]purine-2,6-diamine
SMILESNC1CCC(Nc2nc(NCc3ccc(-c4ccco4)nc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H32N8O/c27-18-8-10-19(11-9-18)31-26-32-24(23-25(33-26)34(16-30-23)20-4-1-2-5-20)29-15-17-7-12-21(28-14-17)22-6-3-13-35-22/h3,6-7,12-14,16,18-20H,1-2,4-5,8-11,15,27H2,(H2,29,31,32,33)
InChIKeyMDEXMDFOZRJJIN-UHFFFAOYSA-N
MW472.60 g/mol
LogP4.89
Rot. Bonds7

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

2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]purine-2,6-diamine (PubChem CID 73353575) 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-2-yl)-3-pyridinyl]methyl]purine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]purine-2,6-diamine
PubChem CID73353575
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]purine-2,6-diamine
SMILESNC1CCC(Nc2nc(NCc3ccc(-c4ccco4)nc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H32N8O/c27-18-8-10-19(11-9-18)31-26-32-24(23-25(33-26)34(16-30-23)20-4-1-2-5-20)29-15-17-7-12-21(28-14-17)22-6-3-13-35-22/h3,6-7,12-14,16,18-20H,1-2,4-5,8-11,15,27H2,(H2,29,31,32,33)
InChIKeyMDEXMDFOZRJJIN-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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]purine-2,6-diamine?
The IUPAC name of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]purine-2,6-diamine (CID 73353575) is 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]purine-2,6-diamine.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]purine-2,6-diamine?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]purine-2,6-diamine is NC1CCC(Nc2nc(NCc3ccc(-c4ccco4)nc3)c3ncn(C4CCCC4)c3n2)CC1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]purine-2,6-diamine?
The InChIKey is MDEXMDFOZRJJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c27-18-8-10-19(11-9-18)31-26-32-24(23-25(33-26)34(16-30-23)20-4-1-2-5-20)29-15-17-7-12-21(28-14-17)22-6-3-13-35-22/h3,6-7,12-14,16,18-20H,1-2,4-5,8-11,15,27H2,(H2,29,31,32,33).
What are the key properties of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]purine-2,6-diamine?
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-2-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-2-yl)-3-pyridinyl]methyl]purine-2,6-diamine is sourced from PubChem (CID 73353575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).