6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione

C12H11ClN2O3S — CID 164620059

IUPAC6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione
SMILESCCn1c(Sc2ccc(Cl)cc2)cc(=O)n(O)c1=O
InChIInChI=1S/C12H11ClN2O3S/c1-2-14-11(7-10(16)15(18)12(14)17)19-9-5-3-8(13)4-6-9/h3-7,18H,2H2,1H3
InChIKeyRVCQQZMBSCTZSW-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.07
Rot. Bonds3

About 6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione

6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione (PubChem CID 164620059) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione
PubChem CID164620059
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Name6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione
SMILESCCn1c(Sc2ccc(Cl)cc2)cc(=O)n(O)c1=O
InChIInChI=1S/C12H11ClN2O3S/c1-2-14-11(7-10(16)15(18)12(14)17)19-9-5-3-8(13)4-6-9/h3-7,18H,2H2,1H3
InChIKeyRVCQQZMBSCTZSW-UHFFFAOYSA-N
XLogP2.07
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione?
The IUPAC name of 6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione (CID 164620059) is 6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione is CCn1c(Sc2ccc(Cl)cc2)cc(=O)n(O)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione?
The InChIKey is RVCQQZMBSCTZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c1-2-14-11(7-10(16)15(18)12(14)17)19-9-5-3-8(13)4-6-9/h3-7,18H,2H2,1H3.
What are the key properties of 6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione?
6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione has a molecular weight of 298.75 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfanyl-1-ethyl-3-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 164620059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).