1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea

C15H17FN4O4S — CID 19377377

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea
SMILESCc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(O)CF)n1
InChIInChI=1S/C15H17FN4O4S/c1-9-7-10(2)18-14(17-9)19-15(22)20-25(23,24)13-6-4-3-5-11(13)12(21)8-16/h3-7,12,21H,8H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyUCWDHKGZOHISRT-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.61
Rot. Bonds5

About 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea

1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea (PubChem CID 19377377) has the molecular formula C15H17FN4O4S and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea
PubChem CID19377377
Molecular FormulaC15H17FN4O4S
Molecular Weight368.39 g/mol
Exact Mass368.10
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea
SMILESCc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(O)CF)n1
InChIInChI=1S/C15H17FN4O4S/c1-9-7-10(2)18-14(17-9)19-15(22)20-25(23,24)13-6-4-3-5-11(13)12(21)8-16/h3-7,12,21H,8H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyUCWDHKGZOHISRT-UHFFFAOYSA-N
XLogP1.61
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea (CID 19377377) is 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea is Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(O)CF)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea?
The InChIKey is UCWDHKGZOHISRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O4S/c1-9-7-10(2)18-14(17-9)19-15(22)20-25(23,24)13-6-4-3-5-11(13)12(21)8-16/h3-7,12,21H,8H2,1-2H3,(H2,17,18,19,20,22).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea?
1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea has a molecular weight of 368.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea is sourced from PubChem (CID 19377377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).