2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide

C17H14N6O2 — CID 141071926

IUPAC2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide
SMILESNC(=O)n1c(Cc2ccccc2)nc2c(-c3ccco3)nc(N)nc21
InChIInChI=1S/C17H14N6O2/c18-16-21-13(11-7-4-8-25-11)14-15(22-16)23(17(19)24)12(20-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,19,24)(H2,18,21,22)
InChIKeyUBASRSZAUNXXAE-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.19
Rot. Bonds3

About 2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide

2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide (PubChem CID 141071926) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide.

Molecular Properties

Compound Name2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide
PubChem CID141071926
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide
SMILESNC(=O)n1c(Cc2ccccc2)nc2c(-c3ccco3)nc(N)nc21
InChIInChI=1S/C17H14N6O2/c18-16-21-13(11-7-4-8-25-11)14-15(22-16)23(17(19)24)12(20-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,19,24)(H2,18,21,22)
InChIKeyUBASRSZAUNXXAE-UHFFFAOYSA-N
XLogP2.19
TPSA125.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide?
The IUPAC name of 2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide (CID 141071926) is 2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide.
What is the SMILES notation for 2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide?
The canonical SMILES for 2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide is NC(=O)n1c(Cc2ccccc2)nc2c(-c3ccco3)nc(N)nc21.
What is the InChIKey of 2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide?
The InChIKey is UBASRSZAUNXXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c18-16-21-13(11-7-4-8-25-11)14-15(22-16)23(17(19)24)12(20-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,19,24)(H2,18,21,22).
What are the key properties of 2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide?
2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide is sourced from PubChem (CID 141071926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).