6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one

C11H10N2O2S — CID 135447522

IUPAC6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one
SMILESCSc1nc(O)cc(=O)n1-c1ccccc1
InChIInChI=1S/C11H10N2O2S/c1-16-11-12-9(14)7-10(15)13(11)8-5-3-2-4-6-8/h2-7,14H,1H3
InChIKeyXWXMISGGKRKDLW-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.66
Rot. Bonds2

About 6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one

6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one (PubChem CID 135447522) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one
PubChem CID135447522
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one
SMILESCSc1nc(O)cc(=O)n1-c1ccccc1
InChIInChI=1S/C11H10N2O2S/c1-16-11-12-9(14)7-10(15)13(11)8-5-3-2-4-6-8/h2-7,14H,1H3
InChIKeyXWXMISGGKRKDLW-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one (CID 135447522) is 6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one is CSc1nc(O)cc(=O)n1-c1ccccc1.
What is the InChIKey of 6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one?
The InChIKey is XWXMISGGKRKDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-16-11-12-9(14)7-10(15)13(11)8-5-3-2-4-6-8/h2-7,14H,1H3.
What are the key properties of 6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one?
6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one has a molecular weight of 234.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methylsulfanyl-3-phenylpyrimidin-4-one is sourced from PubChem (CID 135447522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).