1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-3-hydroxypropyl)phenyl]sulfonylurea

C16H19FN4O6S — CID 67867871

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-3-hydroxypropyl)phenyl]sulfonylurea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2CC(F)CO)n1
InChIInChI=1S/C16H19FN4O6S/c1-26-13-8-14(27-2)19-15(18-13)20-16(23)21-28(24,25)12-6-4-3-5-10(12)7-11(17)9-22/h3-6,8,11,22H,7,9H2,1-2H3,(H2,18,19,20,21,23)
InChIKeyGYYWOJMWJIRABT-UHFFFAOYSA-N
MW414.42 g/mol
LogP0.88
Rot. Bonds8

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

1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-3-hydroxypropyl)phenyl]sulfonylurea (PubChem CID 67867871) has the molecular formula C16H19FN4O6S and a molecular weight of 414.42 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-3-hydroxypropyl)phenyl]sulfonylurea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-3-hydroxypropyl)phenyl]sulfonylurea
PubChem CID67867871
Molecular FormulaC16H19FN4O6S
Molecular Weight414.42 g/mol
Exact Mass414.10
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-3-hydroxypropyl)phenyl]sulfonylurea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2CC(F)CO)n1
InChIInChI=1S/C16H19FN4O6S/c1-26-13-8-14(27-2)19-15(18-13)20-16(23)21-28(24,25)12-6-4-3-5-10(12)7-11(17)9-22/h3-6,8,11,22H,7,9H2,1-2H3,(H2,18,19,20,21,23)
InChIKeyGYYWOJMWJIRABT-UHFFFAOYSA-N
XLogP0.88
TPSA139.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-3-hydroxypropyl)phenyl]sulfonylurea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-3-hydroxypropyl)phenyl]sulfonylurea (CID 67867871) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-3-hydroxypropyl)phenyl]sulfonylurea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-3-hydroxypropyl)phenyl]sulfonylurea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-3-hydroxypropyl)phenyl]sulfonylurea is COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2CC(F)CO)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-3-hydroxypropyl)phenyl]sulfonylurea?
The InChIKey is GYYWOJMWJIRABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O6S/c1-26-13-8-14(27-2)19-15(18-13)20-16(23)21-28(24,25)12-6-4-3-5-10(12)7-11(17)9-22/h3-6,8,11,22H,7,9H2,1-2H3,(H2,18,19,20,21,23).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-3-hydroxypropyl)phenyl]sulfonylurea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-3-hydroxypropyl)phenyl]sulfonylurea has a molecular weight of 414.42 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-3-hydroxypropyl)phenyl]sulfonylurea is sourced from PubChem (CID 67867871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).