2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine

C₁₇H₂₈N₄ — CID 118740064

About 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine

2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine (PubChem CID 118740064) has the molecular formula C₁₇H₂₈N₄ and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine.

Molecular Properties

• Compound Name: 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine
• PubChem CID: 118740064
• Molecular Formula: C₁₇H₂₈N₄
• Molecular Weight: 288.44 g/mol
• Exact Mass: 288.23
• IUPAC Name: 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine
• SMILES: CCN1CCC(N2CCC(c3nc(C)cc(C)n3)C2)CC1
• InChI: InChI=1S/C17H28N4/c1-4-20-8-6-16(7-9-20)21-10-5-15(12-21)17-18-13(2)11-14(3)19-17/h11,15-16H,4-10,12H2,1-3H3
• InChIKey: USHNNOOJYFGJOY-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.44
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine?

The IUPAC name of 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine (CID 118740064) is 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine.

What is the SMILES notation for 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine?

The canonical SMILES for 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine is CCN1CCC(N2CCC(c3nc(C)cc(C)n3)C2)CC1.

What is the InChIKey of 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine?

The InChIKey is USHNNOOJYFGJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-20-8-6-16(7-9-20)21-10-5-15(12-21)17-18-13(2)11-14(3)19-17/h11,15-16H,4-10,12H2,1-3H3.

What are the key properties of 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine?

2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine has a molecular weight of 288.44 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 118740064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118740064 — identifiers, structure, computed properties (public domain)

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