6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione

C11H9ClN2O3S — CID 164623795

IUPAC6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione
SMILESCn1c(Sc2ccc(Cl)cc2)cc(=O)n(O)c1=O
InChIInChI=1S/C11H9ClN2O3S/c1-13-10(6-9(15)14(17)11(13)16)18-8-4-2-7(12)3-5-8/h2-6,17H,1H3
InChIKeyPQSVALDPLVYFTO-UHFFFAOYSA-N
MW284.72 g/mol
LogP1.59
Rot. Bonds2

About 6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione

6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione (PubChem CID 164623795) has the molecular formula C11H9ClN2O3S and a molecular weight of 284.72 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione
PubChem CID164623795
Molecular FormulaC11H9ClN2O3S
Molecular Weight284.72 g/mol
Exact Mass284.00
IUPAC Name6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione
SMILESCn1c(Sc2ccc(Cl)cc2)cc(=O)n(O)c1=O
InChIInChI=1S/C11H9ClN2O3S/c1-13-10(6-9(15)14(17)11(13)16)18-8-4-2-7(12)3-5-8/h2-6,17H,1H3
InChIKeyPQSVALDPLVYFTO-UHFFFAOYSA-N
XLogP1.59
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione (CID 164623795) is 6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione is Cn1c(Sc2ccc(Cl)cc2)cc(=O)n(O)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione?
The InChIKey is PQSVALDPLVYFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3S/c1-13-10(6-9(15)14(17)11(13)16)18-8-4-2-7(12)3-5-8/h2-6,17H,1H3.
What are the key properties of 6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione?
6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione has a molecular weight of 284.72 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfanyl-3-hydroxy-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 164623795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).