3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea

C15H20N6O7S — CID 175236571

IUPAC3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea
SMILESCOCCONS(=O)(=O)N(C(=O)Nc1nc(OC)nc(OC)n1)c1ccccc1
InChIInChI=1S/C15H20N6O7S/c1-25-9-10-28-20-29(23,24)21(11-7-5-4-6-8-11)15(22)18-12-16-13(26-2)19-14(17-12)27-3/h4-8,20H,9-10H2,1-3H3,(H,16,17,18,19,22)
InChIKeyFJHQVVNSWVLULD-UHFFFAOYSA-N
MW428.43 g/mol
LogP0.34
Rot. Bonds10

About 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea

3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea (PubChem CID 175236571) has the molecular formula C15H20N6O7S and a molecular weight of 428.43 g/mol. Its IUPAC name is 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea.

Molecular Properties

Compound Name3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea
PubChem CID175236571
Molecular FormulaC15H20N6O7S
Molecular Weight428.43 g/mol
Exact Mass428.11
IUPAC Name3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea
SMILESCOCCONS(=O)(=O)N(C(=O)Nc1nc(OC)nc(OC)n1)c1ccccc1
InChIInChI=1S/C15H20N6O7S/c1-25-9-10-28-20-29(23,24)21(11-7-5-4-6-8-11)15(22)18-12-16-13(26-2)19-14(17-12)27-3/h4-8,20H,9-10H2,1-3H3,(H,16,17,18,19,22)
InChIKeyFJHQVVNSWVLULD-UHFFFAOYSA-N
XLogP0.34
TPSA154.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 14835177
[2-methoxyethoxysulfamoyl(methyl)amino]methylbenzene
CID 82715155
2-ethoxyethyl N-(benzenesulfonyl)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]carbamate
CID 54471108
1-phenyl-1-(phenylmethoxysulfamoyl)urea
CID 141334106
1-[2-(3-ethoxyprop-1-ynyl)phenyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-sulfamoylurea
CID 19695695
N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
CID 58205198
1-(2-methoxyethyl)-3-methyl-1-phenylurea
CID 143444649
3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide
CID 67645131
1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea
CID 88777457
methyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
CID 6958950
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea
CID 23044833
4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid
CID 114814446

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea?
The IUPAC name of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea (CID 175236571) is 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea.
What is the SMILES notation for 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea?
The canonical SMILES for 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea is COCCONS(=O)(=O)N(C(=O)Nc1nc(OC)nc(OC)n1)c1ccccc1.
What is the InChIKey of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea?
The InChIKey is FJHQVVNSWVLULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O7S/c1-25-9-10-28-20-29(23,24)21(11-7-5-4-6-8-11)15(22)18-12-16-13(26-2)19-14(17-12)27-3/h4-8,20H,9-10H2,1-3H3,(H,16,17,18,19,22).
What are the key properties of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea?
3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea has a molecular weight of 428.43 g/mol, XLogP of 0.34, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-(2-methoxyethoxysulfamoyl)-1-phenylurea is sourced from PubChem (CID 175236571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).