3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid

C10H16N4O6S — CID 107624901

IUPAC3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid
SMILESCOc1cc(OC)nc(NS(=O)(=O)N(C)CCC(=O)O)n1
InChIInChI=1S/C10H16N4O6S/c1-14(5-4-9(15)16)21(17,18)13-10-11-7(19-2)6-8(12-10)20-3/h6H,4-5H2,1-3H3,(H,15,16)(H,11,12,13)
InChIKeyWQHYHOOEOBOOIF-UHFFFAOYSA-N
MW320.33 g/mol
LogP-0.44
Rot. Bonds8

About 3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid

3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid (PubChem CID 107624901) has the molecular formula C10H16N4O6S and a molecular weight of 320.33 g/mol. Its IUPAC name is 3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid
PubChem CID107624901
Molecular FormulaC10H16N4O6S
Molecular Weight320.33 g/mol
Exact Mass320.08
IUPAC Name3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid
SMILESCOc1cc(OC)nc(NS(=O)(=O)N(C)CCC(=O)O)n1
InChIInChI=1S/C10H16N4O6S/c1-14(5-4-9(15)16)21(17,18)13-10-11-7(19-2)6-8(12-10)20-3/h6H,4-5H2,1-3H3,(H,15,16)(H,11,12,13)
InChIKeyWQHYHOOEOBOOIF-UHFFFAOYSA-N
XLogP-0.44
TPSA130.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4,6-dimethoxypyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107624804
4-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-3-methylbutanoic acid
CID 67866584
3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid
CID 107620926
3-[methyl(pyrimidin-5-ylsulfamoyl)amino]propanoic acid
CID 107587564
4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine
CID 114053591
3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid
CID 104617625
3-[[2-carboxyethyl(methyl)sulfamoyl]amino]benzoic acid
CID 84760738
1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
CID 19607508
N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 22648732
2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetic acid
CID 115354683
3-[[3-(dimethylamino)-4-methylphenyl]sulfamoyl-methylamino]propanoic acid
CID 115376567
methyl 3-[(3-fluoro-5-methylphenyl)sulfamoyl-methylamino]propanoate
CID 79054852

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid (CID 107624901) is 3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid is COc1cc(OC)nc(NS(=O)(=O)N(C)CCC(=O)O)n1.
What is the InChIKey of 3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid?
The InChIKey is WQHYHOOEOBOOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O6S/c1-14(5-4-9(15)16)21(17,18)13-10-11-7(19-2)6-8(12-10)20-3/h6H,4-5H2,1-3H3,(H,15,16)(H,11,12,13).
What are the key properties of 3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid?
3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid has a molecular weight of 320.33 g/mol, XLogP of -0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid is sourced from PubChem (CID 107624901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).