2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one

C10H16N2O2S — CID 135420636

IUPAC2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one
SMILESCCCCSc1nc(O)cc(=O)n1CC
InChIInChI=1S/C10H16N2O2S/c1-3-5-6-15-10-11-8(13)7-9(14)12(10)4-2/h7,13H,3-6H2,1-2H3
InChIKeyIDIOZFNRCAMKGZ-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.86
Rot. Bonds5

About 2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one

2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one (PubChem CID 135420636) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one.

Molecular Properties

Compound Name2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one
PubChem CID135420636
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one
SMILESCCCCSc1nc(O)cc(=O)n1CC
InChIInChI=1S/C10H16N2O2S/c1-3-5-6-15-10-11-8(13)7-9(14)12(10)4-2/h7,13H,3-6H2,1-2H3
InChIKeyIDIOZFNRCAMKGZ-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one?
The IUPAC name of 2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one (CID 135420636) is 2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one.
What is the SMILES notation for 2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one?
The canonical SMILES for 2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one is CCCCSc1nc(O)cc(=O)n1CC.
What is the InChIKey of 2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one?
The InChIKey is IDIOZFNRCAMKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-5-6-15-10-11-8(13)7-9(14)12(10)4-2/h7,13H,3-6H2,1-2H3.
What are the key properties of 2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one?
2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one has a molecular weight of 228.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-3-ethyl-6-hydroxypyrimidin-4-one is sourced from PubChem (CID 135420636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).