5-Ethylpyrimidine

C₆H₈N₂ — CID 14434921

About 5-Ethylpyrimidine

5-Ethylpyrimidine (PubChem CID 14434921) has the molecular formula C₆H₈N₂ and a molecular weight of 108.14 g/mol. Its IUPAC name is 5-ethylpyrimidine.

Molecular Properties

• Compound Name: 5-Ethylpyrimidine
• PubChem CID: 14434921
• Molecular Formula: C₆H₈N₂
• Molecular Weight: 108.14 g/mol
• Exact Mass: 108.07
• IUPAC Name: 5-ethylpyrimidine
• SMILES: CCc1cncnc1
• InChI: InChI=1S/C6H8N2/c1-2-6-3-7-5-8-4-6/h3-5H,2H2,1H3
• InChIKey: MJTSPTRANGPNRJ-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	108.14
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-Ethylpyrimidine?

The IUPAC name of 5-Ethylpyrimidine (CID 14434921) is 5-ethylpyrimidine.

What is the SMILES notation for 5-Ethylpyrimidine?

The canonical SMILES for 5-Ethylpyrimidine is CCc1cncnc1.

What is the InChIKey of 5-Ethylpyrimidine?

The InChIKey is MJTSPTRANGPNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-6-3-7-5-8-4-6/h3-5H,2H2,1H3.

What are the key properties of 5-Ethylpyrimidine?

5-Ethylpyrimidine has a molecular weight of 108.14 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-Ethylpyrimidine is sourced from PubChem (CID 14434921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 14434921 — identifiers, structure, computed properties (public domain)

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