2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol

C26H32N8O2 — CID 90333936

IUPAC2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(NCc3ccc(-c4ccoc4)nc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H32N8O2/c35-13-12-32-8-10-33(11-9-32)26-30-24(23-25(31-26)34(18-29-23)21-3-1-2-4-21)28-16-19-5-6-22(27-15-19)20-7-14-36-17-20/h5-7,14-15,17-18,21,35H,1-4,8-13,16H2,(H,28,30,31)
InChIKeyLJUZTQWVUNXFLV-UHFFFAOYSA-N
MW488.60 g/mol
LogP3.32
Rot. Bonds8

About 2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol

2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol (PubChem CID 90333936) has the molecular formula C26H32N8O2 and a molecular weight of 488.60 g/mol. Its IUPAC name is 2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol
PubChem CID90333936
Molecular FormulaC26H32N8O2
Molecular Weight488.60 g/mol
Exact Mass488.26
IUPAC Name2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(NCc3ccc(-c4ccoc4)nc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H32N8O2/c35-13-12-32-8-10-33(11-9-32)26-30-24(23-25(31-26)34(18-29-23)21-3-1-2-4-21)28-16-19-5-6-22(27-15-19)20-7-14-36-17-20/h5-7,14-15,17-18,21,35H,1-4,8-13,16H2,(H,28,30,31)
InChIKeyLJUZTQWVUNXFLV-UHFFFAOYSA-N
XLogP3.32
TPSA108.37 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol (CID 90333936) is 2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2nc(NCc3ccc(-c4ccoc4)nc3)c3ncn(C4CCCC4)c3n2)CC1.
What is the InChIKey of 2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is LJUZTQWVUNXFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O2/c35-13-12-32-8-10-33(11-9-32)26-30-24(23-25(31-26)34(18-29-23)21-3-1-2-4-21)28-16-19-5-6-22(27-15-19)20-7-14-36-17-20/h5-7,14-15,17-18,21,35H,1-4,8-13,16H2,(H,28,30,31).
What are the key properties of 2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol?
2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 488.60 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 90333936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).