1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea

C14H16FN5O4S — CID 19377400

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea
SMILESCc1cc(C)nc(NC(=O)NS(=O)(=O)c2ncccc2C(O)CF)n1
InChIInChI=1S/C14H16FN5O4S/c1-8-6-9(2)18-13(17-8)19-14(22)20-25(23,24)12-10(11(21)7-15)4-3-5-16-12/h3-6,11,21H,7H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyRQZIXWUPGYQROS-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.00
Rot. Bonds5

About 1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea

1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea (PubChem CID 19377400) has the molecular formula C14H16FN5O4S and a molecular weight of 369.38 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea
PubChem CID19377400
Molecular FormulaC14H16FN5O4S
Molecular Weight369.38 g/mol
Exact Mass369.09
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea
SMILESCc1cc(C)nc(NC(=O)NS(=O)(=O)c2ncccc2C(O)CF)n1
InChIInChI=1S/C14H16FN5O4S/c1-8-6-9(2)18-13(17-8)19-14(22)20-25(23,24)12-10(11(21)7-15)4-3-5-16-12/h3-6,11,21H,7H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyRQZIXWUPGYQROS-UHFFFAOYSA-N
XLogP1.00
TPSA134.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea with MolForge

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Related Compounds

1-(4-chloro-6-methoxypyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea
CID 19377403
1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea
CID 15589809
1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 19377379
1-(4,6-dimethylpyrimidin-2-yl)-1-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea
CID 70098046
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea
CID 18934187
3-(2-fluoro-1-hydroxyethyl)pyridine-2-sulfonamide
CID 19377415
1-[(2-but-2-enoxy-3-pyridinyl)sulfonyl]-3-(4,6-dimethylpyrimidin-2-yl)urea
CID 70456862
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid
CID 19390517
1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea
CID 1278810
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]sulfonyl]urea
CID 22118239
N-(4,6-dimethylpyrimidin-2-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303013
1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea
CID 13191141

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea (CID 19377400) is 1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea is Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ncccc2C(O)CF)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea?
The InChIKey is RQZIXWUPGYQROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O4S/c1-8-6-9(2)18-13(17-8)19-14(22)20-25(23,24)12-10(11(21)7-15)4-3-5-16-12/h3-6,11,21H,7H2,1-2H3,(H2,17,18,19,20,22).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea?
1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea has a molecular weight of 369.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea is sourced from PubChem (CID 19377400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).