5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one

C15H11ClN2O3S — CID 118723154

IUPAC5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one
SMILESO=C1OC(c2cncnc2)CC(O)=C1Sc1ccccc1Cl
InChIInChI=1S/C15H11ClN2O3S/c16-10-3-1-2-4-13(10)22-14-11(19)5-12(21-15(14)20)9-6-17-8-18-7-9/h1-4,6-8,12,19H,5H2
InChIKeyMGOUWIKKWTXIOK-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.68
Rot. Bonds3

About 5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one

5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one (PubChem CID 118723154) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one
PubChem CID118723154
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one
SMILESO=C1OC(c2cncnc2)CC(O)=C1Sc1ccccc1Cl
InChIInChI=1S/C15H11ClN2O3S/c16-10-3-1-2-4-13(10)22-14-11(19)5-12(21-15(14)20)9-6-17-8-18-7-9/h1-4,6-8,12,19H,5H2
InChIKeyMGOUWIKKWTXIOK-UHFFFAOYSA-N
XLogP3.68
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one?
The IUPAC name of 5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one (CID 118723154) is 5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one.
What is the SMILES notation for 5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one?
The canonical SMILES for 5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one is O=C1OC(c2cncnc2)CC(O)=C1Sc1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one?
The InChIKey is MGOUWIKKWTXIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c16-10-3-1-2-4-13(10)22-14-11(19)5-12(21-15(14)20)9-6-17-8-18-7-9/h1-4,6-8,12,19H,5H2.
What are the key properties of 5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one?
5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one has a molecular weight of 334.78 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-pyrimidin-5-yl-2,3-dihydropyran-6-one is sourced from PubChem (CID 118723154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).