N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine

C20H22N10O — CID 67926018

IUPACN-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine
SMILESCC(C)=CCNc1ncnc2nc[nH]c12.c1coc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H9N5O.C10H13N5/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyHRHWTBZQGOLZGZ-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.29
Rot. Bonds6

About N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine

N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine (PubChem CID 67926018) has the molecular formula C20H22N10O and a molecular weight of 418.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine
PubChem CID67926018
Molecular FormulaC20H22N10O
Molecular Weight418.47 g/mol
Exact Mass418.20
IUPAC NameN-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine
SMILESCC(C)=CCNc1ncnc2nc[nH]c12.c1coc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H9N5O.C10H13N5/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyHRHWTBZQGOLZGZ-UHFFFAOYSA-N
XLogP3.29
TPSA146.12 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-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 N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine?
The IUPAC name of N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine (CID 67926018) is N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine is CC(C)=CCNc1ncnc2nc[nH]c12.c1coc(CNc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine?
The InChIKey is HRHWTBZQGOLZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O.C10H13N5/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine?
N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine has a molecular weight of 418.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine is sourced from PubChem (CID 67926018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).