5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine

C₁₇H₃₀N₄ — CID 5276767

About 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine

5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 5276767) has the molecular formula C₁₇H₃₀N₄ and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine
• PubChem CID: 5276767
• Molecular Formula: C₁₇H₃₀N₄
• Molecular Weight: 290.45 g/mol
• Exact Mass: 290.25
• IUPAC Name: 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine
• SMILES: CCCCCCc1c(C)nc(N(C)C)nc1N1CCCC1
• InChI: InChI=1S/C17H30N4/c1-5-6-7-8-11-15-14(2)18-17(20(3)4)19-16(15)21-12-9-10-13-21/h5-13H2,1-4H3
• InChIKey: HXMKYIULMGJJAE-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.45
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine?

The IUPAC name of 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 5276767) is 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine.

What is the SMILES notation for 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine?

The canonical SMILES for 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine is CCCCCCc1c(C)nc(N(C)C)nc1N1CCCC1.

What is the InChIKey of 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine?

The InChIKey is HXMKYIULMGJJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-6-7-8-11-15-14(2)18-17(20(3)4)19-16(15)21-12-9-10-13-21/h5-13H2,1-4H3.

What are the key properties of 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine?

5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 5276767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5276767 — identifiers, structure, computed properties (public domain)

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