2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide

C18H16N6O2 — CID 10132473

IUPAC2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide
SMILESNc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1
InChIInChI=1S/C18H16N6O2/c19-17-22-14(13-7-4-10-26-13)15-16(23-17)24(11-21-15)18(25)20-9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,20,25)(H2,19,22,23)
InChIKeyZYZWFDVXMLCIOU-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.47
Rot. Bonds4

About 2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide

2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide (PubChem CID 10132473) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide.

Molecular Properties

Compound Name2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide
PubChem CID10132473
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide
SMILESNc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1
InChIInChI=1S/C18H16N6O2/c19-17-22-14(13-7-4-10-26-13)15-16(23-17)24(11-21-15)18(25)20-9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,20,25)(H2,19,22,23)
InChIKeyZYZWFDVXMLCIOU-UHFFFAOYSA-N
XLogP2.47
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide?
The IUPAC name of 2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide (CID 10132473) is 2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide.
What is the SMILES notation for 2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide?
The canonical SMILES for 2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide is Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1.
What is the InChIKey of 2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide?
The InChIKey is ZYZWFDVXMLCIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c19-17-22-14(13-7-4-10-26-13)15-16(23-17)24(11-21-15)18(25)20-9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,20,25)(H2,19,22,23).
What are the key properties of 2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide?
2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide is sourced from PubChem (CID 10132473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).