6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one

C20H22N2O3S — CID 102225197

IUPAC6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one
SMILESCc1ccc(C2=NC(C)(C)CC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2O3S/c1-14-5-9-16(10-6-14)19-21-20(3,4)13-18(23)22(19)26(24,25)17-11-7-15(2)8-12-17/h5-12H,13H2,1-4H3
InChIKeyRJWIIKAAVOMOHT-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.45
Rot. Bonds3

About 6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one

6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one (PubChem CID 102225197) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one
PubChem CID102225197
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one
SMILESCc1ccc(C2=NC(C)(C)CC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2O3S/c1-14-5-9-16(10-6-14)19-21-20(3,4)13-18(23)22(19)26(24,25)17-11-7-15(2)8-12-17/h5-12H,13H2,1-4H3
InChIKeyRJWIIKAAVOMOHT-UHFFFAOYSA-N
XLogP3.45
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzene-1-sulfonamide
CID 17388169
1-(4-Methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one
CID 102225186
2-Methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one
CID 102225194
1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one
CID 102225195
2-Cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
CID 102225196
4-methyl-N'-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide
CID 134937494
4-methyl-N-[(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
CID 28595772
4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
CID 28595774
3-(Benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 66883453
3-(Benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 66884646
3-(Benzenesulfonyl)-6-ethyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 66884984
2-(4-Methylphenyl)-4-methylsulfanyl-6-oxo-1-[(4-sulfamoylphenyl)methyl]pyrimidine-5-carboximidamide
CID 91440609

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one?
The IUPAC name of 6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one (CID 102225197) is 6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one.
What is the SMILES notation for 6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one?
The canonical SMILES for 6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one is Cc1ccc(C2=NC(C)(C)CC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one?
The InChIKey is RJWIIKAAVOMOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14-5-9-16(10-6-14)19-21-20(3,4)13-18(23)22(19)26(24,25)17-11-7-15(2)8-12-17/h5-12H,13H2,1-4H3.
What are the key properties of 6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one?
6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one has a molecular weight of 370.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one is sourced from PubChem (CID 102225197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).