3-(6-hydroxyhexyl)pyrimidin-4-one

C10H16N2O2 — CID 107705109

IUPAC3-(6-hydroxyhexyl)pyrimidin-4-one
SMILESO=c1ccncn1CCCCCCO
InChIInChI=1S/C10H16N2O2/c13-8-4-2-1-3-7-12-9-11-6-5-10(12)14/h5-6,9,13H,1-4,7-8H2
InChIKeyWODJXEBBLURGCJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.80
Rot. Bonds6

About 3-(6-hydroxyhexyl)pyrimidin-4-one

3-(6-hydroxyhexyl)pyrimidin-4-one (PubChem CID 107705109) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(6-hydroxyhexyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(6-hydroxyhexyl)pyrimidin-4-one
PubChem CID107705109
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(6-hydroxyhexyl)pyrimidin-4-one
SMILESO=c1ccncn1CCCCCCO
InChIInChI=1S/C10H16N2O2/c13-8-4-2-1-3-7-12-9-11-6-5-10(12)14/h5-6,9,13H,1-4,7-8H2
InChIKeyWODJXEBBLURGCJ-UHFFFAOYSA-N
XLogP0.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.80
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-(6-hydroxyhexyl)pyrimidin-4-one?
The IUPAC name of 3-(6-hydroxyhexyl)pyrimidin-4-one (CID 107705109) is 3-(6-hydroxyhexyl)pyrimidin-4-one.
What is the SMILES notation for 3-(6-hydroxyhexyl)pyrimidin-4-one?
The canonical SMILES for 3-(6-hydroxyhexyl)pyrimidin-4-one is O=c1ccncn1CCCCCCO.
What is the InChIKey of 3-(6-hydroxyhexyl)pyrimidin-4-one?
The InChIKey is WODJXEBBLURGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-8-4-2-1-3-7-12-9-11-6-5-10(12)14/h5-6,9,13H,1-4,7-8H2.
What are the key properties of 3-(6-hydroxyhexyl)pyrimidin-4-one?
3-(6-hydroxyhexyl)pyrimidin-4-one has a molecular weight of 196.25 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxyhexyl)pyrimidin-4-one is sourced from PubChem (CID 107705109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).