4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one

C13H12N2O2 — CID 67282370

IUPAC4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one
SMILESC=CCc1ccc(-c2nc(O)cc(=O)[nH]2)cc1
InChIInChI=1S/C13H12N2O2/c1-2-3-9-4-6-10(7-5-9)13-14-11(16)8-12(17)15-13/h2,4-8H,1,3H2,(H2,14,15,16,17)
InChIKeyQLTKOZSONZULGQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.87
Rot. Bonds3

About 4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one

4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one (PubChem CID 67282370) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one
PubChem CID67282370
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one
SMILESC=CCc1ccc(-c2nc(O)cc(=O)[nH]2)cc1
InChIInChI=1S/C13H12N2O2/c1-2-3-9-4-6-10(7-5-9)13-14-11(16)8-12(17)15-13/h2,4-8H,1,3H2,(H2,14,15,16,17)
InChIKeyQLTKOZSONZULGQ-UHFFFAOYSA-N
XLogP1.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one (CID 67282370) is 4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one is C=CCc1ccc(-c2nc(O)cc(=O)[nH]2)cc1.
What is the InChIKey of 4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one?
The InChIKey is QLTKOZSONZULGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-2-3-9-4-6-10(7-5-9)13-14-11(16)8-12(17)15-13/h2,4-8H,1,3H2,(H2,14,15,16,17).
What are the key properties of 4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one has a molecular weight of 228.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 67282370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).