9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine

C24H28N8O — CID 90332579

IUPAC9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine
SMILESc1cc(-c2ccc(CNc3nc(N4CCNCC4)nc4c3ncn4C3CCCC3)cn2)co1
InChIInChI=1S/C24H28N8O/c1-2-4-19(3-1)32-16-28-21-22(29-24(30-23(21)32)31-10-8-25-9-11-31)27-14-17-5-6-20(26-13-17)18-7-12-33-15-18/h5-7,12-13,15-16,19,25H,1-4,8-11,14H2,(H,27,29,30)
InChIKeyTXEFSXYKXISBJK-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.62
Rot. Bonds6

About 9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine

9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine (PubChem CID 90332579) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is 9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine.

Molecular Properties

Compound Name9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine
PubChem CID90332579
Molecular FormulaC24H28N8O
Molecular Weight444.54 g/mol
Exact Mass444.24
IUPAC Name9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine
SMILESc1cc(-c2ccc(CNc3nc(N4CCNCC4)nc4c3ncn4C3CCCC3)cn2)co1
InChIInChI=1S/C24H28N8O/c1-2-4-19(3-1)32-16-28-21-22(29-24(30-23(21)32)31-10-8-25-9-11-31)27-14-17-5-6-20(26-13-17)18-7-12-33-15-18/h5-7,12-13,15-16,19,25H,1-4,8-11,14H2,(H,27,29,30)
InChIKeyTXEFSXYKXISBJK-UHFFFAOYSA-N
XLogP3.62
TPSA96.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine?
The IUPAC name of 9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine (CID 90332579) is 9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine.
What is the SMILES notation for 9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine?
The canonical SMILES for 9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine is c1cc(-c2ccc(CNc3nc(N4CCNCC4)nc4c3ncn4C3CCCC3)cn2)co1.
What is the InChIKey of 9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine?
The InChIKey is TXEFSXYKXISBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O/c1-2-4-19(3-1)32-16-28-21-22(29-24(30-23(21)32)31-10-8-25-9-11-31)27-14-17-5-6-20(26-13-17)18-7-12-33-15-18/h5-7,12-13,15-16,19,25H,1-4,8-11,14H2,(H,27,29,30).
What are the key properties of 9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine?
9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine has a molecular weight of 444.54 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine is sourced from PubChem (CID 90332579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).