2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one

C11H10N2O2S — CID 774009

IUPAC2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(SCc2ccccc2)[nH]1
InChIInChI=1S/C11H10N2O2S/c14-9-6-10(15)13-11(12-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,12,13,14,15)
InChIKeyQAISFVUWGZBCDK-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.77
Rot. Bonds3

About 2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one

2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 774009) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID774009
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(SCc2ccccc2)[nH]1
InChIInChI=1S/C11H10N2O2S/c14-9-6-10(15)13-11(12-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,12,13,14,15)
InChIKeyQAISFVUWGZBCDK-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one (CID 774009) is 2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(SCc2ccccc2)[nH]1.
What is the InChIKey of 2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is QAISFVUWGZBCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-9-6-10(15)13-11(12-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,12,13,14,15).
What are the key properties of 2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 234.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 774009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).