5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one

C15H15ClF2N2O2S — CID 69351794

IUPAC5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one
SMILESCSc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1C(C)C
InChIInChI=1S/C15H15ClF2N2O2S/c1-8(2)20-14(21)12(16)13(19-15(20)23-3)22-7-9-4-5-10(17)6-11(9)18/h4-6,8H,7H2,1-3H3
InChIKeyZETRSQOJHTVYJB-UHFFFAOYSA-N
MW360.81 g/mol
LogP4.06
Rot. Bonds5

About 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one

5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one (PubChem CID 69351794) has the molecular formula C15H15ClF2N2O2S and a molecular weight of 360.81 g/mol. Its IUPAC name is 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one
PubChem CID69351794
Molecular FormulaC15H15ClF2N2O2S
Molecular Weight360.81 g/mol
Exact Mass360.05
IUPAC Name5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one
SMILESCSc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1C(C)C
InChIInChI=1S/C15H15ClF2N2O2S/c1-8(2)20-14(21)12(16)13(19-15(20)23-3)22-7-9-4-5-10(17)6-11(9)18/h4-6,8H,7H2,1-3H3
InChIKeyZETRSQOJHTVYJB-UHFFFAOYSA-N
XLogP4.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one (CID 69351794) is 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one is CSc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1C(C)C.
What is the InChIKey of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one?
The InChIKey is ZETRSQOJHTVYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2O2S/c1-8(2)20-14(21)12(16)13(19-15(20)23-3)22-7-9-4-5-10(17)6-11(9)18/h4-6,8H,7H2,1-3H3.
What are the key properties of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one?
5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one has a molecular weight of 360.81 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 69351794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).