1,2,5,6-tetramethylpyrimidin-4-one

C₈H₁₂N₂O — CID 58821037

About 1,2,5,6-tetramethylpyrimidin-4-one

1,2,5,6-tetramethylpyrimidin-4-one (PubChem CID 58821037) has the molecular formula C₈H₁₂N₂O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1,2,5,6-tetramethylpyrimidin-4-one.

Molecular Properties

• Compound Name: 1,2,5,6-tetramethylpyrimidin-4-one
• PubChem CID: 58821037
• Molecular Formula: C₈H₁₂N₂O
• Molecular Weight: 152.20 g/mol
• Exact Mass: 152.09
• IUPAC Name: 1,2,5,6-tetramethylpyrimidin-4-one
• SMILES: Cc1c(C)n(C)c(C)nc1=O
• InChI: InChI=1S/C8H12N2O/c1-5-6(2)10(4)7(3)9-8(5)11/h1-4H3
• InChIKey: RBKWLYRAHSMQIW-UHFFFAOYSA-N
• XLogP: 0.71
• TPSA: 34.89 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	152.20
LogP ≤ 5	0.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,2,5,6-tetramethylpyrimidin-4-one?

The IUPAC name of 1,2,5,6-tetramethylpyrimidin-4-one (CID 58821037) is 1,2,5,6-tetramethylpyrimidin-4-one.

What is the SMILES notation for 1,2,5,6-tetramethylpyrimidin-4-one?

The canonical SMILES for 1,2,5,6-tetramethylpyrimidin-4-one is Cc1c(C)n(C)c(C)nc1=O.

What is the InChIKey of 1,2,5,6-tetramethylpyrimidin-4-one?

The InChIKey is RBKWLYRAHSMQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-6(2)10(4)7(3)9-8(5)11/h1-4H3.

What are the key properties of 1,2,5,6-tetramethylpyrimidin-4-one?

1,2,5,6-tetramethylpyrimidin-4-one has a molecular weight of 152.20 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,5,6-tetramethylpyrimidin-4-one is sourced from PubChem (CID 58821037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58821037 — identifiers, structure, computed properties (public domain)

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