1-(5-hydroxypentyl)pyrimidin-2-one

C9H14N2O2 — CID 62228807

IUPAC1-(5-hydroxypentyl)pyrimidin-2-one
SMILESO=c1ncccn1CCCCCO
InChIInChI=1S/C9H14N2O2/c12-8-3-1-2-6-11-7-4-5-10-9(11)13/h4-5,7,12H,1-3,6,8H2
InChIKeyWMODMGUBSNRCPM-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.41
Rot. Bonds5

About 1-(5-hydroxypentyl)pyrimidin-2-one

1-(5-hydroxypentyl)pyrimidin-2-one (PubChem CID 62228807) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(5-hydroxypentyl)pyrimidin-2-one
PubChem CID62228807
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(5-hydroxypentyl)pyrimidin-2-one
SMILESO=c1ncccn1CCCCCO
InChIInChI=1S/C9H14N2O2/c12-8-3-1-2-6-11-7-4-5-10-9(11)13/h4-5,7,12H,1-3,6,8H2
InChIKeyWMODMGUBSNRCPM-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 1-(5-hydroxypentyl)pyrimidin-2-one?
The IUPAC name of 1-(5-hydroxypentyl)pyrimidin-2-one (CID 62228807) is 1-(5-hydroxypentyl)pyrimidin-2-one.
What is the SMILES notation for 1-(5-hydroxypentyl)pyrimidin-2-one?
The canonical SMILES for 1-(5-hydroxypentyl)pyrimidin-2-one is O=c1ncccn1CCCCCO.
What is the InChIKey of 1-(5-hydroxypentyl)pyrimidin-2-one?
The InChIKey is WMODMGUBSNRCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-8-3-1-2-6-11-7-4-5-10-9(11)13/h4-5,7,12H,1-3,6,8H2.
What are the key properties of 1-(5-hydroxypentyl)pyrimidin-2-one?
1-(5-hydroxypentyl)pyrimidin-2-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 1-(5-hydroxypentyl)pyrimidin-2-one is sourced from PubChem (CID 62228807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).