2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole

C9H8FN3OS — CID 126790264

IUPAC2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESCc1nc(C)c(F)c(Sc2ncco2)n1
InChIInChI=1S/C9H8FN3OS/c1-5-7(10)8(13-6(2)12-5)15-9-11-3-4-14-9/h3-4H,1-2H3
InChIKeyRPXWNJUYZJTQJY-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.37
Rot. Bonds2

About 2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole

2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole (PubChem CID 126790264) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole
PubChem CID126790264
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESCc1nc(C)c(F)c(Sc2ncco2)n1
InChIInChI=1S/C9H8FN3OS/c1-5-7(10)8(13-6(2)12-5)15-9-11-3-4-14-9/h3-4H,1-2H3
InChIKeyRPXWNJUYZJTQJY-UHFFFAOYSA-N
XLogP2.37
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923340
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923407
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
CID 106923411
4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928204
5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928252
5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 106928253
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928314
4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928315
5-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928320
N-ethyl-5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928349
N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928356
[4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 106928783

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
The IUPAC name of 2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole (CID 126790264) is 2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
The canonical SMILES for 2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole is Cc1nc(C)c(F)c(Sc2ncco2)n1.
What is the InChIKey of 2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
The InChIKey is RPXWNJUYZJTQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c1-5-7(10)8(13-6(2)12-5)15-9-11-3-4-14-9/h3-4H,1-2H3.
What are the key properties of 2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole has a molecular weight of 225.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 126790264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).