5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one

C7H10N2O2S — CID 57307316

IUPAC5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one
SMILESCCc1c(O)n(C)c(=S)[nH]c1=O
InChIInChI=1S/C7H10N2O2S/c1-3-4-5(10)8-7(12)9(2)6(4)11/h11H,3H2,1-2H3,(H,8,10,12)
InChIKeySKHFRSALGQHRRR-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.71
Rot. Bonds1

About 5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one

5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one (PubChem CID 57307316) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one
PubChem CID57307316
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one
SMILESCCc1c(O)n(C)c(=S)[nH]c1=O
InChIInChI=1S/C7H10N2O2S/c1-3-4-5(10)8-7(12)9(2)6(4)11/h11H,3H2,1-2H3,(H,8,10,12)
InChIKeySKHFRSALGQHRRR-UHFFFAOYSA-N
XLogP0.71
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one (CID 57307316) is 5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one is CCc1c(O)n(C)c(=S)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one?
The InChIKey is SKHFRSALGQHRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-4-5(10)8-7(12)9(2)6(4)11/h11H,3H2,1-2H3,(H,8,10,12).
What are the key properties of 5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one?
5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one has a molecular weight of 186.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 57307316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).