🧬 What is this?

A molecule I built (vibecoded ofc) named after myself. Ananya has 6 letters — so a 6-membered ring. The two N's in the name sit at positions 4 and 6. Position 5 gets a special NH₂ branch for Y. Every A is just a plain, unbothered carbon.

Full IUPAC name: 2-aminopyrimidine · Formula: C₄H₅N₃ · MW: 95.10 g/mol

Also known as 2-aminopyrimidine. 10/10 for the efforts though.

🛠️ Dependencies

Everything built on a Chromebook Linux container (Crostini / Debian).

Python packages

pip install rdkit --break-system-packages
pip install openbabel-wheel --break-system-packages

Core tools

• Python 3 — base language
• RDKit — molecule generation, 3D embedding, MMFF94 energy minimisation, PDB/SDF/SMI export
• OpenBabel — converts PDB to PDBQT for Vina
• AutoDock Vina v1.2.7 — docking engine
• PyMOL 3.1.0 — 3D visualisation and render export

sudo apt install autodock-vina
sudo apt install pymol

💡 Ideation

I wanted to turn my name into an actual molecule not a fake name-label graphic, real chemistry.

What didn't work first: Tried a direct letter-to-element cipher: A=1→H, N=14→Si, Y=25→Mn. Technically produces a valid organometallic cluster (H₇MnSi₂) but completely useless for docking — AutoDock Vina has no force field parameters for manganese silicide and it won't sit in a biological pocket.