5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one

C₁₄H₂₀N₂O₃ — CID 112569363

About 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one

5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one (PubChem CID 112569363) has the molecular formula C₁₄H₂₀N₂O₃ and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one
• PubChem CID: 112569363
• Molecular Formula: C₁₄H₂₀N₂O₃
• Molecular Weight: 264.32 g/mol
• Exact Mass: 264.15
• IUPAC Name: 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one
• SMILES: O=c1[nH]c(C2CCOCC2)nc(O)c1C1CCCC1
• InChI: InChI=1S/C14H20N2O3/c17-13-11(9-3-1-2-4-9)14(18)16-12(15-13)10-5-7-19-8-6-10/h9-10H,1-8H2,(H2,15,16,17,18)
• InChIKey: KLZIRRCJPGHFFX-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 75.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.32
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one?

The IUPAC name of 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one (CID 112569363) is 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one.

What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one?

The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one is O=c1[nH]c(C2CCOCC2)nc(O)c1C1CCCC1.

What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one?

The InChIKey is KLZIRRCJPGHFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-13-11(9-3-1-2-4-9)14(18)16-12(15-13)10-5-7-19-8-6-10/h9-10H,1-8H2,(H2,15,16,17,18).

What are the key properties of 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one?

5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 264.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 112569363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 112569363 — identifiers, structure, computed properties (public domain)

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