2-(furan-2-ylmethyl)-7H-purin-6-amine

C10H9N5O — CID 22620828

IUPAC2-(furan-2-ylmethyl)-7H-purin-6-amine
SMILESNc1nc(Cc2ccco2)nc2nc[nH]c12
InChIInChI=1S/C10H9N5O/c11-9-8-10(13-5-12-8)15-7(14-9)4-6-2-1-3-16-6/h1-3,5H,4H2,(H3,11,12,13,14,15)
InChIKeyKBQRJRIGUDBCTM-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.12
Rot. Bonds2

About 2-(furan-2-ylmethyl)-7H-purin-6-amine

2-(furan-2-ylmethyl)-7H-purin-6-amine (PubChem CID 22620828) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-7H-purin-6-amine
PubChem CID22620828
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name2-(furan-2-ylmethyl)-7H-purin-6-amine
SMILESNc1nc(Cc2ccco2)nc2nc[nH]c12
InChIInChI=1S/C10H9N5O/c11-9-8-10(13-5-12-8)15-7(14-9)4-6-2-1-3-16-6/h1-3,5H,4H2,(H3,11,12,13,14,15)
InChIKeyKBQRJRIGUDBCTM-UHFFFAOYSA-N
XLogP1.12
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(furan-2-ylmethyl)-7H-purin-6-amine 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-(furan-2-ylmethyl)-7H-purin-6-amine?
The IUPAC name of 2-(furan-2-ylmethyl)-7H-purin-6-amine (CID 22620828) is 2-(furan-2-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for 2-(furan-2-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for 2-(furan-2-ylmethyl)-7H-purin-6-amine is Nc1nc(Cc2ccco2)nc2nc[nH]c12.
What is the InChIKey of 2-(furan-2-ylmethyl)-7H-purin-6-amine?
The InChIKey is KBQRJRIGUDBCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c11-9-8-10(13-5-12-8)15-7(14-9)4-6-2-1-3-16-6/h1-3,5H,4H2,(H3,11,12,13,14,15).
What are the key properties of 2-(furan-2-ylmethyl)-7H-purin-6-amine?
2-(furan-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 215.22 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 22620828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).