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

C26H32N8O2 — CID 90333030

IUPAC2-[4-[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(NCc3ccc(-c4ccco4)nc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H32N8O2/c35-14-13-32-9-11-33(12-10-32)26-30-24(23-25(31-26)34(18-29-23)20-4-1-2-5-20)28-17-19-7-8-21(27-16-19)22-6-3-15-36-22/h3,6-8,15-16,18,20,35H,1-2,4-5,9-14,17H2,(H,28,30,31)
InChIKeyULZFEDOTXCVRLC-UHFFFAOYSA-N
MW488.60 g/mol
LogP3.32
Rot. Bonds8

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

2-[4-[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol (PubChem CID 90333030) 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-2-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol
PubChem CID90333030
Molecular FormulaC26H32N8O2
Molecular Weight488.60 g/mol
Exact Mass488.26
IUPAC Name2-[4-[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(NCc3ccc(-c4ccco4)nc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H32N8O2/c35-14-13-32-9-11-33(12-10-32)26-30-24(23-25(31-26)34(18-29-23)20-4-1-2-5-20)28-17-19-7-8-21(27-16-19)22-6-3-15-36-22/h3,6-8,15-16,18,20,35H,1-2,4-5,9-14,17H2,(H,28,30,31)
InChIKeyULZFEDOTXCVRLC-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-2-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol (CID 90333030) is 2-[4-[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2nc(NCc3ccc(-c4ccco4)nc3)c3ncn(C4CCCC4)c3n2)CC1.
What is the InChIKey of 2-[4-[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is ULZFEDOTXCVRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O2/c35-14-13-32-9-11-33(12-10-32)26-30-24(23-25(31-26)34(18-29-23)20-4-1-2-5-20)28-17-19-7-8-21(27-16-19)22-6-3-15-36-22/h3,6-8,15-16,18,20,35H,1-2,4-5,9-14,17H2,(H,28,30,31).
What are the key properties of 2-[4-[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol?
2-[4-[9-cyclopentyl-6-[[6-(furan-2-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-2-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 90333030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).