6-(4-methoxyphenyl)-7H-purin-2-amine

C12H11N5O — CID 71426829

IUPAC6-(4-methoxyphenyl)-7H-purin-2-amine
SMILESCOc1ccc(-c2nc(N)nc3nc[nH]c23)cc1
InChIInChI=1S/C12H11N5O/c1-18-8-4-2-7(3-5-8)9-10-11(15-6-14-10)17-12(13)16-9/h2-6H,1H3,(H3,13,14,15,16,17)
InChIKeyDXRBLUNUXHMGLP-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.61
Rot. Bonds2

About 6-(4-methoxyphenyl)-7H-purin-2-amine

6-(4-methoxyphenyl)-7H-purin-2-amine (PubChem CID 71426829) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-7H-purin-2-amine
PubChem CID71426829
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name6-(4-methoxyphenyl)-7H-purin-2-amine
SMILESCOc1ccc(-c2nc(N)nc3nc[nH]c23)cc1
InChIInChI=1S/C12H11N5O/c1-18-8-4-2-7(3-5-8)9-10-11(15-6-14-10)17-12(13)16-9/h2-6H,1H3,(H3,13,14,15,16,17)
InChIKeyDXRBLUNUXHMGLP-UHFFFAOYSA-N
XLogP1.61
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-methoxyphenyl)-7H-purin-2-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 6-(4-methoxyphenyl)-7H-purin-2-amine?
The IUPAC name of 6-(4-methoxyphenyl)-7H-purin-2-amine (CID 71426829) is 6-(4-methoxyphenyl)-7H-purin-2-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-7H-purin-2-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-7H-purin-2-amine is COc1ccc(-c2nc(N)nc3nc[nH]c23)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-7H-purin-2-amine?
The InChIKey is DXRBLUNUXHMGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-18-8-4-2-7(3-5-8)9-10-11(15-6-14-10)17-12(13)16-9/h2-6H,1H3,(H3,13,14,15,16,17).
What are the key properties of 6-(4-methoxyphenyl)-7H-purin-2-amine?
6-(4-methoxyphenyl)-7H-purin-2-amine has a molecular weight of 241.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-7H-purin-2-amine is sourced from PubChem (CID 71426829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).