4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one

C11H10N2O2S — CID 63612263

IUPAC4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one
SMILESCSc1ccc(-c2nc(O)cc(=O)[nH]2)cc1
InChIInChI=1S/C11H10N2O2S/c1-16-8-4-2-7(3-5-8)11-12-9(14)6-10(15)13-11/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyPWXZSOFGOPUZDD-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.86
Rot. Bonds2

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

4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one (PubChem CID 63612263) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one
PubChem CID63612263
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one
SMILESCSc1ccc(-c2nc(O)cc(=O)[nH]2)cc1
InChIInChI=1S/C11H10N2O2S/c1-16-8-4-2-7(3-5-8)11-12-9(14)6-10(15)13-11/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyPWXZSOFGOPUZDD-UHFFFAOYSA-N
XLogP1.86
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one (CID 63612263) is 4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one is CSc1ccc(-c2nc(O)cc(=O)[nH]2)cc1.
What is the InChIKey of 4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one?
The InChIKey is PWXZSOFGOPUZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-16-8-4-2-7(3-5-8)11-12-9(14)6-10(15)13-11/h2-6H,1H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one has a molecular weight of 234.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63612263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).