2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol

C₂₅H₄₃N₃O₂ — CID 132961465

About 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol

2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol (PubChem CID 132961465) has the molecular formula C₂₅H₄₃N₃O₂ and a molecular weight of 417.64 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol.

Molecular Properties

• Compound Name: 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol
• PubChem CID: 132961465
• Molecular Formula: C₂₅H₄₃N₃O₂
• Molecular Weight: 417.64 g/mol
• Exact Mass: 417.34
• IUPAC Name: 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol
• SMILES: CCCCCCCCCCCCCCc1nc(N2CCC2)nc(OC2CCC2)c1O
• InChI: InChI=1S/C25H43N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22-23(29)24(30-21-16-14-17-21)27-25(26-22)28-19-15-20-28/h21,29H,2-20H2,1H3
• InChIKey: WCSDOLDTABDXDZ-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 58.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.64
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol?

The IUPAC name of 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol (CID 132961465) is 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol.

What is the SMILES notation for 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol?

The canonical SMILES for 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol is CCCCCCCCCCCCCCc1nc(N2CCC2)nc(OC2CCC2)c1O.

What is the InChIKey of 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol?

The InChIKey is WCSDOLDTABDXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22-23(29)24(30-21-16-14-17-21)27-25(26-22)28-19-15-20-28/h21,29H,2-20H2,1H3.

What are the key properties of 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol?

2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol has a molecular weight of 417.64 g/mol, XLogP of 6.57, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol is sourced from PubChem (CID 132961465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 132961465 — identifiers, structure, computed properties (public domain)

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