2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one

C11H9ClN2O2S — CID 816232

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(SCc2ccccc2Cl)[nH]1
InChIInChI=1S/C11H9ClN2O2S/c12-8-4-2-1-3-7(8)6-17-11-13-9(15)5-10(16)14-11/h1-5H,6H2,(H2,13,14,15,16)
InChIKeyDSJYNPLTSJKLJG-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.42
Rot. Bonds3

About 2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one

2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 816232) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID816232
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(SCc2ccccc2Cl)[nH]1
InChIInChI=1S/C11H9ClN2O2S/c12-8-4-2-1-3-7(8)6-17-11-13-9(15)5-10(16)14-11/h1-5H,6H2,(H2,13,14,15,16)
InChIKeyDSJYNPLTSJKLJG-UHFFFAOYSA-N
XLogP2.42
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Chlorobenzyl)thio]-6-methylpyrimidin-4-ol
CID 135412226
2-(Benzylthio)pyrimidine-4,6-diol
CID 774009
4-[(2,6-dichlorophenyl)methyl]-2-sec-butylsulfanyl-1H-pyrimidin-6-one
CID 135402775
2-cyclohexylsulfanyl-4-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one
CID 135402776
4-hydroxy-2-(4-phenylbutylsulfanyl)-1H-pyrimidin-6-one
CID 127045103
4-hydroxy-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-6-one
CID 127045635
2-[(2,4-Dichlorobenzyl)sulfanyl]-6-methyl-4-pyrimidinol
CID 135406358
2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol
CID 241166
4-Amino-2-(3-chlorophenylmethylthio)-6-hydroxypyrimidine
CID 135427712
6-Amino-2-[(2,4-dichlorobenzyl)thio]pyrimidin-4-ol
CID 135406307
2-[(4-ethylphenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one
CID 127044463
2-[(2-Chlorobenzyl)thio]-6-propylpyrimidin-4-ol
CID 135412241

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one (CID 816232) is 2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(SCc2ccccc2Cl)[nH]1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is DSJYNPLTSJKLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-8-4-2-1-3-7(8)6-17-11-13-9(15)5-10(16)14-11/h1-5H,6H2,(H2,13,14,15,16).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one?
2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 268.73 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 816232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).