2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one

C12H14N2O3S — CID 102363747

IUPAC2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
SMILESCC1=NCCC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14N2O3S/c1-9-3-5-11(6-4-9)18(16,17)14-10(2)13-8-7-12(14)15/h3-6H,7-8H2,1-2H3
InChIKeyUBMDEUWOYAWNIH-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.33
Rot. Bonds2

About 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one

2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one (PubChem CID 102363747) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
PubChem CID102363747
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
SMILESCC1=NCCC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14N2O3S/c1-9-3-5-11(6-4-9)18(16,17)14-10(2)13-8-7-12(14)15/h3-6H,7-8H2,1-2H3
InChIKeyUBMDEUWOYAWNIH-UHFFFAOYSA-N
XLogP1.33
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-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 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one (CID 102363747) is 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one is CC1=NCCC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
The InChIKey is UBMDEUWOYAWNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9-3-5-11(6-4-9)18(16,17)14-10(2)13-8-7-12(14)15/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one has a molecular weight of 266.32 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 102363747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).