8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine

C27H34N6O2 — CID 69336278

IUPAC8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine
SMILESNc1nc(OCCCc2ccccc2)nc2c1nc(-c1ccco1)n2CCCCN1CCCCC1
InChIInChI=1S/C27H34N6O2/c28-24-23-26(31-27(30-24)35-20-9-13-21-11-3-1-4-12-21)33(25(29-23)22-14-10-19-34-22)18-8-7-17-32-15-5-2-6-16-32/h1,3-4,10-12,14,19H,2,5-9,13,15-18,20H2,(H2,28,30,31)
InChIKeyJFPQXPKDYZGYPR-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.95
Rot. Bonds11

About 8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine

8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine (PubChem CID 69336278) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine.

Molecular Properties

Compound Name8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine
PubChem CID69336278
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC Name8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine
SMILESNc1nc(OCCCc2ccccc2)nc2c1nc(-c1ccco1)n2CCCCN1CCCCC1
InChIInChI=1S/C27H34N6O2/c28-24-23-26(31-27(30-24)35-20-9-13-21-11-3-1-4-12-21)33(25(29-23)22-14-10-19-34-22)18-8-7-17-32-15-5-2-6-16-32/h1,3-4,10-12,14,19H,2,5-9,13,15-18,20H2,(H2,28,30,31)
InChIKeyJFPQXPKDYZGYPR-UHFFFAOYSA-N
XLogP4.95
TPSA95.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(furan-2-yl)-2-(3-phenylpropoxy)-9-prop-2-enylpurin-6-amine
CID 18440494
8-bromo-9-ethyl-2-(3-phenylpropoxy)purin-6-amine
CID 18440482
8-bromo-2-(3-phenylpropoxy)-9-prop-2-ynylpurin-6-amine
CID 18440490
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
8-bromo-9-hept-4-enyl-2-(2-phenylethoxy)purin-6-amine
CID 69337041
2-butoxy-9-[6-(4-ethylpiperazin-1-yl)hexyl]-8-methoxypurin-6-amine
CID 58291076
2-butoxy-9-[5-(4-ethylpiperazin-1-yl)pentyl]-8-methoxypurin-6-amine
CID 58291024
9-benzyl-2-butoxy-8-pyridin-2-ylpurin-6-amine
CID 138700991
2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine
CID 66727010
9-benzyl-2-(2-methoxyethoxy)-8-(methylideneamino)purin-6-amine
CID 71154032
2-butoxy-9-[3-(4-ethylpiperazin-1-yl)propyl]-8-methoxypurin-6-amine
CID 58291008
8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine
CID 169004672

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine?
The IUPAC name of 8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine (CID 69336278) is 8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine.
What is the SMILES notation for 8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine?
The canonical SMILES for 8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine is Nc1nc(OCCCc2ccccc2)nc2c1nc(-c1ccco1)n2CCCCN1CCCCC1.
What is the InChIKey of 8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine?
The InChIKey is JFPQXPKDYZGYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c28-24-23-26(31-27(30-24)35-20-9-13-21-11-3-1-4-12-21)33(25(29-23)22-14-10-19-34-22)18-8-7-17-32-15-5-2-6-16-32/h1,3-4,10-12,14,19H,2,5-9,13,15-18,20H2,(H2,28,30,31).
What are the key properties of 8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine?
8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine has a molecular weight of 474.61 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine is sourced from PubChem (CID 69336278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).