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

C14H16N6O2 — CID 59835055

IUPAC2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cnc2c(-c3ccco3)nc(N)nc21
InChIInChI=1S/C14H16N6O2/c1-2-5-16-10(21)7-20-8-17-12-11(9-4-3-6-22-9)18-14(15)19-13(12)20/h3-4,6,8H,2,5,7H2,1H3,(H,16,21)(H2,15,18,19)
InChIKeyNGDJEYACQNLWHQ-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.19
Rot. Bonds5

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

2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide (PubChem CID 59835055) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide
PubChem CID59835055
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cnc2c(-c3ccco3)nc(N)nc21
InChIInChI=1S/C14H16N6O2/c1-2-5-16-10(21)7-20-8-17-12-11(9-4-3-6-22-9)18-14(15)19-13(12)20/h3-4,6,8H,2,5,7H2,1H3,(H,16,21)(H2,15,18,19)
InChIKeyNGDJEYACQNLWHQ-UHFFFAOYSA-N
XLogP1.19
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide?
The IUPAC name of 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide (CID 59835055) is 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide is CCCNC(=O)Cn1cnc2c(-c3ccco3)nc(N)nc21.
What is the InChIKey of 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide?
The InChIKey is NGDJEYACQNLWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-2-5-16-10(21)7-20-8-17-12-11(9-4-3-6-22-9)18-14(15)19-13(12)20/h3-4,6,8H,2,5,7H2,1H3,(H,16,21)(H2,15,18,19).
What are the key properties of 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide?
2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide has a molecular weight of 300.32 g/mol, XLogP of 1.19, 5 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-propylacetamide is sourced from PubChem (CID 59835055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).