methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate

C13H16N6O6S — CID 13364392

IUPACmethyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C13H16N6O6S/c1-7-5-9(24-3)16-12(15-7)17-13(21)18-26(22,23)10-8(11(20)25-4)6-14-19(10)2/h5-6H,1-4H3,(H2,15,16,17,18,21)
InChIKeyORPFWUDYTLVNJY-UHFFFAOYSA-N
MW384.37 g/mol
LogP-0.18
Rot. Bonds5

About methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate

methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate (PubChem CID 13364392) has the molecular formula C13H16N6O6S and a molecular weight of 384.37 g/mol. Its IUPAC name is methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
PubChem CID13364392
Molecular FormulaC13H16N6O6S
Molecular Weight384.37 g/mol
Exact Mass384.09
IUPAC Namemethyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C13H16N6O6S/c1-7-5-9(24-3)16-12(15-7)17-13(21)18-26(22,23)10-8(11(20)25-4)6-14-19(10)2/h5-6H,1-4H3,(H2,15,16,17,18,21)
InChIKeyORPFWUDYTLVNJY-UHFFFAOYSA-N
XLogP-0.18
TPSA154.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate (CID 13364392) is methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate is COC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1.
What is the InChIKey of methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is ORPFWUDYTLVNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O6S/c1-7-5-9(24-3)16-12(15-7)17-13(21)18-26(22,23)10-8(11(20)25-4)6-14-19(10)2/h5-6H,1-4H3,(H2,15,16,17,18,21).
What are the key properties of methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate?
methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 384.37 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 13364392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).