4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one

C11H10N2O2S — CID 67151975

IUPAC4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESC=CCc1c(O)nc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C11H10N2O2S/c1-2-4-7-10(14)12-9(13-11(7)15)8-5-3-6-16-8/h2-3,5-6H,1,4H2,(H2,12,13,14,15)
InChIKeyWAQXOEZYOOUJMN-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.93
Rot. Bonds3

About 4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one

4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 67151975) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one
PubChem CID67151975
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESC=CCc1c(O)nc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C11H10N2O2S/c1-2-4-7-10(14)12-9(13-11(7)15)8-5-3-6-16-8/h2-3,5-6H,1,4H2,(H2,12,13,14,15)
InChIKeyWAQXOEZYOOUJMN-UHFFFAOYSA-N
XLogP1.93
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one (CID 67151975) is 4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one is C=CCc1c(O)nc(-c2cccs2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
The InChIKey is WAQXOEZYOOUJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-2-4-7-10(14)12-9(13-11(7)15)8-5-3-6-16-8/h2-3,5-6H,1,4H2,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 234.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 67151975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).