3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one

C11H18N2O2 — CID 63769897

IUPAC3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCCCO)c(C)n1
InChIInChI=1S/C11H18N2O2/c1-9-8-11(15)13(10(2)12-9)6-4-3-5-7-14/h8,14H,3-7H2,1-2H3
InChIKeyIPQZIUDXYXQBOH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.02
Rot. Bonds5

About 3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one

3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 63769897) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one
PubChem CID63769897
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCCCO)c(C)n1
InChIInChI=1S/C11H18N2O2/c1-9-8-11(15)13(10(2)12-9)6-4-3-5-7-14/h8,14H,3-7H2,1-2H3
InChIKeyIPQZIUDXYXQBOH-UHFFFAOYSA-N
XLogP1.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one (CID 63769897) is 3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CCCCCO)c(C)n1.
What is the InChIKey of 3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is IPQZIUDXYXQBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9-8-11(15)13(10(2)12-9)6-4-3-5-7-14/h8,14H,3-7H2,1-2H3.
What are the key properties of 3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one?
3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 210.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63769897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).