6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine

C17H16N6O — CID 59835097

IUPAC6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine
SMILESNc1nc(-c2ccco2)c2ncn(CCCc3ccncc3)c2n1
InChIInChI=1S/C17H16N6O/c18-17-21-14(13-4-2-10-24-13)15-16(22-17)23(11-20-15)9-1-3-12-5-7-19-8-6-12/h2,4-8,10-11H,1,3,9H2,(H2,18,21,22)
InChIKeyYTDRZSCZMZYAEP-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.70
Rot. Bonds5

About 6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine

6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine (PubChem CID 59835097) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine.

Molecular Properties

Compound Name6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine
PubChem CID59835097
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine
SMILESNc1nc(-c2ccco2)c2ncn(CCCc3ccncc3)c2n1
InChIInChI=1S/C17H16N6O/c18-17-21-14(13-4-2-10-24-13)15-16(22-17)23(11-20-15)9-1-3-12-5-7-19-8-6-12/h2,4-8,10-11H,1,3,9H2,(H2,18,21,22)
InChIKeyYTDRZSCZMZYAEP-UHFFFAOYSA-N
XLogP2.70
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine?
The IUPAC name of 6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine (CID 59835097) is 6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine.
What is the SMILES notation for 6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine?
The canonical SMILES for 6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine is Nc1nc(-c2ccco2)c2ncn(CCCc3ccncc3)c2n1.
What is the InChIKey of 6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine?
The InChIKey is YTDRZSCZMZYAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c18-17-21-14(13-4-2-10-24-13)15-16(22-17)23(11-20-15)9-1-3-12-5-7-19-8-6-12/h2,4-8,10-11H,1,3,9H2,(H2,18,21,22).
What are the key properties of 6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine?
6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine has a molecular weight of 320.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine is sourced from PubChem (CID 59835097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).