6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one

C13H14N2O2S — CID 70242692

IUPAC6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one
SMILESCOc1nc(SC)n(-c2ccccc2)c(=O)c1C
InChIInChI=1S/C13H14N2O2S/c1-9-11(17-2)14-13(18-3)15(12(9)16)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyZFTFDINUZAMNSP-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.27
Rot. Bonds3

About 6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one

6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one (PubChem CID 70242692) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one
PubChem CID70242692
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one
SMILESCOc1nc(SC)n(-c2ccccc2)c(=O)c1C
InChIInChI=1S/C13H14N2O2S/c1-9-11(17-2)14-13(18-3)15(12(9)16)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyZFTFDINUZAMNSP-UHFFFAOYSA-N
XLogP2.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-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-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one?
The IUPAC name of 6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one (CID 70242692) is 6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one.
What is the SMILES notation for 6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one?
The canonical SMILES for 6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one is COc1nc(SC)n(-c2ccccc2)c(=O)c1C.
What is the InChIKey of 6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one?
The InChIKey is ZFTFDINUZAMNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-11(17-2)14-13(18-3)15(12(9)16)10-7-5-4-6-8-10/h4-8H,1-3H3.
What are the key properties of 6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one?
6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one has a molecular weight of 262.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one is sourced from PubChem (CID 70242692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).