2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine

C₁₆H₂₅N₃ — CID 110269100

About 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine

2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine (PubChem CID 110269100) has the molecular formula C₁₆H₂₅N₃ and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine.

Molecular Properties

• Compound Name: 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine
• PubChem CID: 110269100
• Molecular Formula: C₁₆H₂₅N₃
• Molecular Weight: 259.40 g/mol
• Exact Mass: 259.20
• IUPAC Name: 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine
• SMILES: Cc1cc(C)nc(C2CCN(C3CCCCC3)C2)n1
• InChI: InChI=1S/C16H25N3/c1-12-10-13(2)18-16(17-12)14-8-9-19(11-14)15-6-4-3-5-7-15/h10,14-15H,3-9,11H2,1-2H3
• InChIKey: HEVYTQPSLUXYRQ-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 29.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	259.40
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine?

The IUPAC name of 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine (CID 110269100) is 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine.

What is the SMILES notation for 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine?

The canonical SMILES for 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine is Cc1cc(C)nc(C2CCN(C3CCCCC3)C2)n1.

What is the InChIKey of 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine?

The InChIKey is HEVYTQPSLUXYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-10-13(2)18-16(17-12)14-8-9-19(11-14)15-6-4-3-5-7-15/h10,14-15H,3-9,11H2,1-2H3.

What are the key properties of 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine?

2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine has a molecular weight of 259.40 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine is sourced from PubChem (CID 110269100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 110269100 — identifiers, structure, computed properties (public domain)

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