2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid

C14H15N5O8S — CID 21273967

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2nc(OC)ccc2C(=O)O)n1
InChIInChI=1S/C14H15N5O8S/c1-25-8-5-4-7(12(20)21)11(15-8)28(23,24)19-14(22)18-13-16-9(26-2)6-10(17-13)27-3/h4-6H,1-3H3,(H,20,21)(H2,16,17,18,19,22)
InChIKeyVVLBWQRFTKOTGA-UHFFFAOYSA-N
MW413.37 g/mol
LogP0.11
Rot. Bonds7

About 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid

2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid (PubChem CID 21273967) has the molecular formula C14H15N5O8S and a molecular weight of 413.37 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid
PubChem CID21273967
Molecular FormulaC14H15N5O8S
Molecular Weight413.37 g/mol
Exact Mass413.06
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2nc(OC)ccc2C(=O)O)n1
InChIInChI=1S/C14H15N5O8S/c1-25-8-5-4-7(12(20)21)11(15-8)28(23,24)19-14(22)18-13-16-9(26-2)6-10(17-13)27-3/h4-6H,1-3H3,(H,20,21)(H2,16,17,18,19,22)
InChIKeyVVLBWQRFTKOTGA-UHFFFAOYSA-N
XLogP0.11
TPSA178.93 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid with MolForge

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Related Compounds

2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid
CID 19390517
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 67617129
5-(bromomethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid
CID 19819265
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-[ethyl(methylsulfonyl)amino]-2-pyridinyl]sulfonyl]urea
CID 19977699
1-[(4-amino-3-methylsulfonyl-2-pyridinyl)sulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 21466994
1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
CID 19607508
1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea
CID 14421814
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]sulfonyl]urea
CID 22118239
2-[[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid
CID 23177681
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
CID 154343693
4-(methanesulfonamidomethyl)-2-[(4-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid
CID 174450313
2-chloropyrazine;5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylic acid
CID 139391187

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid (CID 21273967) is 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid is COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2nc(OC)ccc2C(=O)O)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid?
The InChIKey is VVLBWQRFTKOTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O8S/c1-25-8-5-4-7(12(20)21)11(15-8)28(23,24)19-14(22)18-13-16-9(26-2)6-10(17-13)27-3/h4-6H,1-3H3,(H,20,21)(H2,16,17,18,19,22).
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid?
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid has a molecular weight of 413.37 g/mol, XLogP of 0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 21273967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).