1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea

C14H13F3N4O3S — CID 1278810

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea
SMILESCc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H13F3N4O3S/c1-8-7-9(2)19-12(18-8)20-13(22)21-25(23,24)11-6-4-3-5-10(11)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20,21,22)
InChIKeyYJXKEYDAWGFMRY-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.62
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea

1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea (PubChem CID 1278810) has the molecular formula C14H13F3N4O3S and a molecular weight of 374.34 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea
PubChem CID1278810
Molecular FormulaC14H13F3N4O3S
Molecular Weight374.34 g/mol
Exact Mass374.07
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea
SMILESCc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H13F3N4O3S/c1-8-7-9(2)19-12(18-8)20-13(22)21-25(23,24)11-6-4-3-5-10(11)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20,21,22)
InChIKeyYJXKEYDAWGFMRY-UHFFFAOYSA-N
XLogP2.62
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea
CID 15589809
sodium;1-[4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea;hydride
CID 173259349
N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
CID 108808047
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
N-[(2S)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 30132868
2-[[4-(dimethoxymethyl)-6-methylpyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid
CID 21274203
1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylurea
CID 139216279
1-(4-chloro-6-methylpyrimidin-2-yl)-3-(2-nitrophenyl)sulfonylurea
CID 19864749
1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea
CID 13191141
1-[2-(dichloromethyl)phenyl]sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 13364616
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 70703973
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-[2-(1,2-oxazol-5-yl)phenyl]sulfonylurea
CID 13489830

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea (CID 1278810) is 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea is Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea?
The InChIKey is YJXKEYDAWGFMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O3S/c1-8-7-9(2)19-12(18-8)20-13(22)21-25(23,24)11-6-4-3-5-10(11)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea?
1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea has a molecular weight of 374.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea is sourced from PubChem (CID 1278810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).