3-(5-hydroxypentyl)pyrimidin-4-one

C9H14N2O2 — CID 63769902

IUPAC3-(5-hydroxypentyl)pyrimidin-4-one
SMILESO=c1ccncn1CCCCCO
InChIInChI=1S/C9H14N2O2/c12-7-3-1-2-6-11-8-10-5-4-9(11)13/h4-5,8,12H,1-3,6-7H2
InChIKeyRIUOFUFFIGHVEZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.41
Rot. Bonds5

About 3-(5-hydroxypentyl)pyrimidin-4-one

3-(5-hydroxypentyl)pyrimidin-4-one (PubChem CID 63769902) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(5-hydroxypentyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(5-hydroxypentyl)pyrimidin-4-one
PubChem CID63769902
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(5-hydroxypentyl)pyrimidin-4-one
SMILESO=c1ccncn1CCCCCO
InChIInChI=1S/C9H14N2O2/c12-7-3-1-2-6-11-8-10-5-4-9(11)13/h4-5,8,12H,1-3,6-7H2
InChIKeyRIUOFUFFIGHVEZ-UHFFFAOYSA-N
XLogP0.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.41
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)pyrimidin-4-one?
The IUPAC name of 3-(5-hydroxypentyl)pyrimidin-4-one (CID 63769902) is 3-(5-hydroxypentyl)pyrimidin-4-one.
What is the SMILES notation for 3-(5-hydroxypentyl)pyrimidin-4-one?
The canonical SMILES for 3-(5-hydroxypentyl)pyrimidin-4-one is O=c1ccncn1CCCCCO.
What is the InChIKey of 3-(5-hydroxypentyl)pyrimidin-4-one?
The InChIKey is RIUOFUFFIGHVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-7-3-1-2-6-11-8-10-5-4-9(11)13/h4-5,8,12H,1-3,6-7H2.
What are the key properties of 3-(5-hydroxypentyl)pyrimidin-4-one?
3-(5-hydroxypentyl)pyrimidin-4-one has a molecular weight of 182.22 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentyl)pyrimidin-4-one is sourced from PubChem (CID 63769902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).