2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide

C12H12N6O2 — CID 59834969

IUPAC2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cnc2c(-c3ccco3)nc(N)nc21
InChIInChI=1S/C12H12N6O2/c1-14-8(19)5-18-6-15-10-9(7-3-2-4-20-7)16-12(13)17-11(10)18/h2-4,6H,5H2,1H3,(H,14,19)(H2,13,16,17)
InChIKeyNPUAYULMTSTCBA-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.41
Rot. Bonds3

About 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide

2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide (PubChem CID 59834969) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide
PubChem CID59834969
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cnc2c(-c3ccco3)nc(N)nc21
InChIInChI=1S/C12H12N6O2/c1-14-8(19)5-18-6-15-10-9(7-3-2-4-20-7)16-12(13)17-11(10)18/h2-4,6H,5H2,1H3,(H,14,19)(H2,13,16,17)
InChIKeyNPUAYULMTSTCBA-UHFFFAOYSA-N
XLogP0.41
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide?
The IUPAC name of 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide (CID 59834969) is 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide is CNC(=O)Cn1cnc2c(-c3ccco3)nc(N)nc21.
What is the InChIKey of 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide?
The InChIKey is NPUAYULMTSTCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-14-8(19)5-18-6-15-10-9(7-3-2-4-20-7)16-12(13)17-11(10)18/h2-4,6H,5H2,1H3,(H,14,19)(H2,13,16,17).
What are the key properties of 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide?
2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide has a molecular weight of 272.27 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide is sourced from PubChem (CID 59834969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).