methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate

C11H17N3O5S — CID 107605578

IUPACmethyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C11H17N3O5S/c1-8-7-9(18-2)13-11(12-8)14-20(16,17)6-4-5-10(15)19-3/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyZBAXURHFQWMRGO-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.49
Rot. Bonds7

About methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate

methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate (PubChem CID 107605578) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate
PubChem CID107605578
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Namemethyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C11H17N3O5S/c1-8-7-9(18-2)13-11(12-8)14-20(16,17)6-4-5-10(15)19-3/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyZBAXURHFQWMRGO-UHFFFAOYSA-N
XLogP0.49
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide
CID 107602665
N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(methylamino)propane-1-sulfonamide
CID 106089355
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107652681
methyl 4-[(4-phenoxy-6-phenylpyrimidin-2-yl)sulfamoyl]butanoate
CID 170395264
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide
CID 106089579
4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
CID 112636843
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
methyl 4-[(2-hydroxy-4-methoxyphenyl)sulfamoyl]butanoate
CID 102695904
methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate
CID 61457533

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate (CID 107605578) is methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)Nc1nc(C)cc(OC)n1.
What is the InChIKey of methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate?
The InChIKey is ZBAXURHFQWMRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-8-7-9(18-2)13-11(12-8)14-20(16,17)6-4-5-10(15)19-3/h7H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate?
methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate has a molecular weight of 303.34 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate is sourced from PubChem (CID 107605578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).