1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea

C9H15N5O3S — CID 13191141

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea
SMILESCc1cc(C)nc(NC(=O)NS(=O)(=O)N(C)C)n1
InChIInChI=1S/C9H15N5O3S/c1-6-5-7(2)11-8(10-6)12-9(15)13-18(16,17)14(3)4/h5H,1-4H3,(H2,10,11,12,13,15)
InChIKeyZVQQRVAHTBYRGP-UHFFFAOYSA-N
MW273.32 g/mol
LogP0.02
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea

1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea (PubChem CID 13191141) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea
PubChem CID13191141
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea
SMILESCc1cc(C)nc(NC(=O)NS(=O)(=O)N(C)C)n1
InChIInChI=1S/C9H15N5O3S/c1-6-5-7(2)11-8(10-6)12-9(15)13-18(16,17)14(3)4/h5H,1-4H3,(H2,10,11,12,13,15)
InChIKeyZVQQRVAHTBYRGP-UHFFFAOYSA-N
XLogP0.02
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea
CID 1278810
1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea
CID 15589809
1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
CID 19607508
1-(4,6-dimethylpyrimidin-2-yl)-3-[[6-hydroxy-4-(2H-oxet-3-yl)-7-oxo-2-bicyclo[3.1.1]hepta-1,3,5-trienyl]sulfonyl]urea
CID 142064053
ethyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-3-(methylamino)but-2-enoate
CID 70417290
1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea
CID 134528663
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea
CID 19377400
1-(4,6-dimethylpyrimidin-2-yl)-3-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)sulfonyl]urea
CID 70516874
1-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-[3-(dimethylsulfamoylamino)phenyl]urea
CID 72918904
methyl (2R)-1-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]pyrrolidine-2-carboxylate
CID 95988608
1-[2-chloro-6-(3-hydroxypropyl)phenyl]sulfonyl-3-(4,6-dimethylpyrimidin-2-yl)urea
CID 67908509

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea (CID 13191141) is 1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea is Cc1cc(C)nc(NC(=O)NS(=O)(=O)N(C)C)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea?
The InChIKey is ZVQQRVAHTBYRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c1-6-5-7(2)11-8(10-6)12-9(15)13-18(16,17)14(3)4/h5H,1-4H3,(H2,10,11,12,13,15).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea?
1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea has a molecular weight of 273.32 g/mol, XLogP of 0.02, 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-(dimethylsulfamoyl)urea is sourced from PubChem (CID 13191141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).