1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea

C10H16N4O5S — CID 142669824

IUPAC1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea
SMILESCNC(=O)N(c1cc(OC)cc(OC)n1)S(=O)(=O)NC
InChIInChI=1S/C10H16N4O5S/c1-11-10(15)14(20(16,17)12-2)8-5-7(18-3)6-9(13-8)19-4/h5-6,12H,1-4H3,(H,11,15)
InChIKeyXMFBDNXZGCKJOB-UHFFFAOYSA-N
MW304.33 g/mol
LogP-0.29
Rot. Bonds5

About 1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea

1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea (PubChem CID 142669824) has the molecular formula C10H16N4O5S and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea.

Molecular Properties

Compound Name1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea
PubChem CID142669824
Molecular FormulaC10H16N4O5S
Molecular Weight304.33 g/mol
Exact Mass304.08
IUPAC Name1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea
SMILESCNC(=O)N(c1cc(OC)cc(OC)n1)S(=O)(=O)NC
InChIInChI=1S/C10H16N4O5S/c1-11-10(15)14(20(16,17)12-2)8-5-7(18-3)6-9(13-8)19-4/h5-6,12H,1-4H3,(H,11,15)
InChIKeyXMFBDNXZGCKJOB-UHFFFAOYSA-N
XLogP-0.29
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea?
The IUPAC name of 1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea (CID 142669824) is 1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea.
What is the SMILES notation for 1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea?
The canonical SMILES for 1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea is CNC(=O)N(c1cc(OC)cc(OC)n1)S(=O)(=O)NC.
What is the InChIKey of 1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea?
The InChIKey is XMFBDNXZGCKJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S/c1-11-10(15)14(20(16,17)12-2)8-5-7(18-3)6-9(13-8)19-4/h5-6,12H,1-4H3,(H,11,15).
What are the key properties of 1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea?
1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea has a molecular weight of 304.33 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea is sourced from PubChem (CID 142669824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).