1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea

C11H17N5O7S2 — CID 15334538

IUPAC1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)N(C)S(=O)(=O)C2CC2)n1
InChIInChI=1S/C11H17N5O7S2/c1-16(24(18,19)7-4-5-7)25(20,21)15-11(17)14-10-12-8(22-2)6-9(13-10)23-3/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15,17)
InChIKeyITEQLELIKKENEN-UHFFFAOYSA-N
MW395.42 g/mol
LogP-0.72
Rot. Bonds7

About 1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea

1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea (PubChem CID 15334538) has the molecular formula C11H17N5O7S2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea
PubChem CID15334538
Molecular FormulaC11H17N5O7S2
Molecular Weight395.42 g/mol
Exact Mass395.06
IUPAC Name1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)N(C)S(=O)(=O)C2CC2)n1
InChIInChI=1S/C11H17N5O7S2/c1-16(24(18,19)7-4-5-7)25(20,21)15-11(17)14-10-12-8(22-2)6-9(13-10)23-3/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15,17)
InChIKeyITEQLELIKKENEN-UHFFFAOYSA-N
XLogP-0.72
TPSA156.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
CID 19607508
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid
CID 21273967
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide
CID 86340296
2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
CID 19418320
2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-2H-pyrimidine-1-carboxamide
CID 139665570
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 67617129
1-(4,6-dimethoxypyrimidin-2-yl)-3-[3-[methyl(methylsulfonyl)amino]prop-2-enylsulfonyl]urea
CID 174284655
1-(3-chloro-1,4-dimethylpyrazol-5-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 91269857
1-(5-chloro-2-hydroxyphenyl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea;methanesulfonic acid
CID 88686342
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
CID 154343693
N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 22648732

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea?
The IUPAC name of 1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea (CID 15334538) is 1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea.
What is the SMILES notation for 1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea?
The canonical SMILES for 1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea is COc1cc(OC)nc(NC(=O)NS(=O)(=O)N(C)S(=O)(=O)C2CC2)n1.
What is the InChIKey of 1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea?
The InChIKey is ITEQLELIKKENEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O7S2/c1-16(24(18,19)7-4-5-7)25(20,21)15-11(17)14-10-12-8(22-2)6-9(13-10)23-3/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15,17).
What are the key properties of 1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea?
1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea has a molecular weight of 395.42 g/mol, XLogP of -0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropylsulfonyl(methyl)sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea is sourced from PubChem (CID 15334538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).