1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea

C17H16N6O5S — CID 23044833

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea
SMILESCOc1nc(NC(=O)NS(=O)(=O)c2ncccc2-c2ccccc2)nc(OC)n1
InChIInChI=1S/C17H16N6O5S/c1-27-16-20-14(21-17(22-16)28-2)19-15(24)23-29(25,26)13-12(9-6-10-18-13)11-7-4-3-5-8-11/h3-10H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyHQPXMZGQNUMDOO-UHFFFAOYSA-N
MW416.42 g/mol
LogP1.46
Rot. Bonds6

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea (PubChem CID 23044833) has the molecular formula C17H16N6O5S and a molecular weight of 416.42 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea
PubChem CID23044833
Molecular FormulaC17H16N6O5S
Molecular Weight416.42 g/mol
Exact Mass416.09
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea
SMILESCOc1nc(NC(=O)NS(=O)(=O)c2ncccc2-c2ccccc2)nc(OC)n1
InChIInChI=1S/C17H16N6O5S/c1-27-16-20-14(21-17(22-16)28-2)19-15(24)23-29(25,26)13-12(9-6-10-18-13)11-7-4-3-5-8-11/h3-10H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyHQPXMZGQNUMDOO-UHFFFAOYSA-N
XLogP1.46
TPSA145.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea with MolForge

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Related Compounds

1-(benzenesulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 14835177
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid
CID 19390517
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 12875194
1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea
CID 88777457
1-[[3-(5,6-dihydro-1,4,2-oxathiazin-3-yl)-2-pyridinyl]sulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 51030996
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 67617129
1-[2-(cyclopropylmethoxy)phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 70527394
1-[2-[(E)-but-2-enoxy]phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 13321801
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]sulfonyl]urea
CID 22118239
lithium;hydride;methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 173024581
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-[ethyl(methylsulfonyl)amino]-2-pyridinyl]sulfonyl]urea
CID 19977699
methyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-(2-phenylphenyl)sulfonylcarbamimidothioate
CID 13422025

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea (CID 23044833) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea is COc1nc(NC(=O)NS(=O)(=O)c2ncccc2-c2ccccc2)nc(OC)n1.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea?
The InChIKey is HQPXMZGQNUMDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O5S/c1-27-16-20-14(21-17(22-16)28-2)19-15(24)23-29(25,26)13-12(9-6-10-18-13)11-7-4-3-5-8-11/h3-10H,1-2H3,(H2,19,20,21,22,23,24).
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea has a molecular weight of 416.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea is sourced from PubChem (CID 23044833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).