2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole

C9H8FN3OS — CID 106923496

IUPAC2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2cc(F)ncn2)oc1C
InChIInChI=1S/C9H8FN3OS/c1-5-6(2)14-9(13-5)15-8-3-7(10)11-4-12-8/h3-4H,1-2H3
InChIKeyHUIPEZKQIJGNDV-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.37
Rot. Bonds2

About 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole

2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole (PubChem CID 106923496) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
PubChem CID106923496
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2cc(F)ncn2)oc1C
InChIInChI=1S/C9H8FN3OS/c1-5-6(2)14-9(13-5)15-8-3-7(10)11-4-12-8/h3-4H,1-2H3
InChIKeyHUIPEZKQIJGNDV-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-4-methyl-1,3-oxazole
CID 106923419
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923484
2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923489
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923555
5-fluoro-N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928448
5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928449
5-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928514
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928592
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928621
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
CID 106928632
6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928641
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928689

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole (CID 106923496) is 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole is Cc1nc(Sc2cc(F)ncn2)oc1C.
What is the InChIKey of 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The InChIKey is HUIPEZKQIJGNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c1-5-6(2)14-9(13-5)15-8-3-7(10)11-4-12-8/h3-4H,1-2H3.
What are the key properties of 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-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-(6-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106923496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).