1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea

C15H18N4O7S2 — CID 13093971

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea
SMILESCOc1cc(OC)nc(N(C)C(=O)NS(=O)(=O)c2ccccc2S(C)(=O)=O)n1
InChIInChI=1S/C15H18N4O7S2/c1-19(14-16-12(25-2)9-13(17-14)26-3)15(20)18-28(23,24)11-8-6-5-7-10(11)27(4,21)22/h5-9H,1-4H3,(H,18,20)
InChIKeyBMKXDNGMJLWSAD-UHFFFAOYSA-N
MW430.46 g/mol
LogP0.43
Rot. Bonds6

About 1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea

1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea (PubChem CID 13093971) has the molecular formula C15H18N4O7S2 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea
PubChem CID13093971
Molecular FormulaC15H18N4O7S2
Molecular Weight430.46 g/mol
Exact Mass430.06
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea
SMILESCOc1cc(OC)nc(N(C)C(=O)NS(=O)(=O)c2ccccc2S(C)(=O)=O)n1
InChIInChI=1S/C15H18N4O7S2/c1-19(14-16-12(25-2)9-13(17-14)26-3)15(20)18-28(23,24)11-8-6-5-7-10(11)27(4,21)22/h5-9H,1-4H3,(H,18,20)
InChIKeyBMKXDNGMJLWSAD-UHFFFAOYSA-N
XLogP0.43
TPSA144.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxy-3-(2-methylsulfonylphenyl)sulfonylurea
CID 13093969
1-[(4-methoxy-6-methylpyrimidin-2-yl)methoxy]-3-(2-methylsulfonylphenyl)sulfonylurea
CID 88751537
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
CID 154343693
2-[[methyl-(2-methyl-6-oxo-1H-1,3,5-triazin-4-yl)carbamoyl]sulfamoyl]benzoic acid
CID 137277327
1-[2-(2,2-difluoro-1-hydroxyethyl)phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 18934189
4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane
CID 159487000
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(methylsulfanylmethyl)phenyl]sulfonylurea
CID 13057427
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea
CID 142648741
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-[(1S,2R)-2-fluoro-1-hydroxypropyl]phenyl]sulfonylurea
CID 101077371
N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 3641925
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea
CID 18934187

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea (CID 13093971) is 1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea is COc1cc(OC)nc(N(C)C(=O)NS(=O)(=O)c2ccccc2S(C)(=O)=O)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea?
The InChIKey is BMKXDNGMJLWSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O7S2/c1-19(14-16-12(25-2)9-13(17-14)26-3)15(20)18-28(23,24)11-8-6-5-7-10(11)27(4,21)22/h5-9H,1-4H3,(H,18,20).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea?
1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea has a molecular weight of 430.46 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea is sourced from PubChem (CID 13093971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).