Thymine 3D structure

Thymine (also called 5-methyluracil, 2,4-Dihydroxy-5-methylpyrimidine) has the formula C5H6N2O2 and a molar mass of 126.11 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C5H6N2O2
Molar mass
126.11 g/mol
PubChem CID
1135
Heavy atoms
9
Category
Nucleotides and nucleobases

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name5-methyl-1H-pyrimidine-2,4-dione
SMILESCC1=CNC(=O)NC1=O
PubChem CID1135
Other names5-methyluracil, 2,4-Dihydroxy-5-methylpyrimidine, Thymin, Thymine anhydrate, 5-Methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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