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

C15H18N4O7S2 — CID 154343693

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
SMILESCCS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H18N4O7S2/c1-4-27(21,22)10-7-5-6-8-11(10)28(23,24)19-15(20)18-14-16-12(25-2)9-13(17-14)26-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyPQBRJWWIIILFJO-UHFFFAOYSA-N
MW430.46 g/mol
LogP0.80
Rot. Bonds7

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

1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea (PubChem CID 154343693) has the molecular formula C15H18N4O7S2 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
PubChem CID154343693
Molecular FormulaC15H18N4O7S2
Molecular Weight430.46 g/mol
Exact Mass430.06
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
SMILESCCS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H18N4O7S2/c1-4-27(21,22)10-7-5-6-8-11(10)28(23,24)19-15(20)18-14-16-12(25-2)9-13(17-14)26-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyPQBRJWWIIILFJO-UHFFFAOYSA-N
XLogP0.80
TPSA153.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(methylsulfanylmethyl)phenyl]sulfonylurea
CID 13057427
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea
CID 18934187
1-[2-(2,2-difluoro-1-hydroxyethyl)phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 18934189
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 3641925
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-[(1S,2R)-2-fluoro-1-hydroxypropyl]phenyl]sulfonylurea
CID 101077371
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-thiophen-2-ylphenyl)sulfonylurea
CID 13366185
ethyl 2-[(4-fluoro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
CID 14721641
2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
CID 19418320
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-7-yl)sulfonyl]urea
CID 18965830
3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]indole-1-carboxylic acid
CID 70416029
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)sulfonyl]urea
CID 13455423

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea (CID 154343693) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea is CCS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea?
The InChIKey is PQBRJWWIIILFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O7S2/c1-4-27(21,22)10-7-5-6-8-11(10)28(23,24)19-15(20)18-14-16-12(25-2)9-13(17-14)26-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea has a molecular weight of 430.46 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea is sourced from PubChem (CID 154343693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).