1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea

C12H10F3N5O5S — CID 139594374

IUPAC1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea
SMILESCOc1cc(=O)[nH]c(NC(=O)NS(=O)(=O)c2ncccc2C(F)(F)F)n1
InChIInChI=1S/C12H10F3N5O5S/c1-25-8-5-7(21)17-10(18-8)19-11(22)20-26(23,24)9-6(12(13,14)15)3-2-4-16-9/h2-5H,1H3,(H3,17,18,19,20,21,22)
InChIKeyBMXUAZSPKJIZRF-UHFFFAOYSA-N
MW393.30 g/mol
LogP0.70
Rot. Bonds4

About 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea

1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea (PubChem CID 139594374) has the molecular formula C12H10F3N5O5S and a molecular weight of 393.30 g/mol. Its IUPAC name is 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea.

Molecular Properties

Compound Name1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea
PubChem CID139594374
Molecular FormulaC12H10F3N5O5S
Molecular Weight393.30 g/mol
Exact Mass393.04
IUPAC Name1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea
SMILESCOc1cc(=O)[nH]c(NC(=O)NS(=O)(=O)c2ncccc2C(F)(F)F)n1
InChIInChI=1S/C12H10F3N5O5S/c1-25-8-5-7(21)17-10(18-8)19-11(22)20-26(23,24)9-6(12(13,14)15)3-2-4-16-9/h2-5H,1H3,(H3,17,18,19,20,21,22)
InChIKeyBMXUAZSPKJIZRF-UHFFFAOYSA-N
XLogP0.70
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea with MolForge

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Related Compounds

2-(N-((4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-N,N-dimethylnicotinamide
CID 139595163
6-Methoxy-2-((3-(trifluoromethyl)pyridin-2-yl)amino)pyrimidin-4-ol
CID 57495160
Htpu (ssre-020)
CID 139596377
Gtps (ssre-018)
CID 146030227
2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide
CID 91943602
(Z)-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide
CID 75392801
1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)pyridin-2-yl]sulfonylurea
CID 19912189
2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)pyridin-2-yl]propanamide
CID 68730839
2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)pyridin-2-yl]propanamide
CID 68732064
2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)pyridin-2-yl]propanamide
CID 68732713
Methyl 2-methyl-1-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-2-sulfinate
CID 89575607
1-(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[3-(3,3,3-trifluoropropyl)pyridin-2-yl]sulfonylurea
CID 89950450

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea?
The IUPAC name of 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea (CID 139594374) is 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea.
What is the SMILES notation for 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea?
The canonical SMILES for 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea is COc1cc(=O)[nH]c(NC(=O)NS(=O)(=O)c2ncccc2C(F)(F)F)n1.
What is the InChIKey of 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea?
The InChIKey is BMXUAZSPKJIZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O5S/c1-25-8-5-7(21)17-10(18-8)19-11(22)20-26(23,24)9-6(12(13,14)15)3-2-4-16-9/h2-5H,1H3,(H3,17,18,19,20,21,22).
What are the key properties of 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea?
1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea has a molecular weight of 393.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea is sourced from PubChem (CID 139594374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).