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

C15H16F2N2O2S — CID 69352669

IUPAC6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one
SMILESCSc1nc(OCc2ccc(F)cc2F)cc(=O)n1C(C)C
InChIInChI=1S/C15H16F2N2O2S/c1-9(2)19-14(20)7-13(18-15(19)22-3)21-8-10-4-5-11(16)6-12(10)17/h4-7,9H,8H2,1-3H3
InChIKeyMFNVYRREPYEPPB-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.40
Rot. Bonds5

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

6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one (PubChem CID 69352669) has the molecular formula C15H16F2N2O2S and a molecular weight of 326.37 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one
PubChem CID69352669
Molecular FormulaC15H16F2N2O2S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one
SMILESCSc1nc(OCc2ccc(F)cc2F)cc(=O)n1C(C)C
InChIInChI=1S/C15H16F2N2O2S/c1-9(2)19-14(20)7-13(18-15(19)22-3)21-8-10-4-5-11(16)6-12(10)17/h4-7,9H,8H2,1-3H3
InChIKeyMFNVYRREPYEPPB-UHFFFAOYSA-N
XLogP3.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one 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-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one (CID 69352669) is 6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one is CSc1nc(OCc2ccc(F)cc2F)cc(=O)n1C(C)C.
What is the InChIKey of 6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one?
The InChIKey is MFNVYRREPYEPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2S/c1-9(2)19-14(20)7-13(18-15(19)22-3)21-8-10-4-5-11(16)6-12(10)17/h4-7,9H,8H2,1-3H3.
What are the key properties of 6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one?
6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one has a molecular weight of 326.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 69352669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).