5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine

C8H7FN4OS — CID 106928252

IUPAC5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2ncco2)n1
InChIInChI=1S/C8H7FN4OS/c1-10-7-12-4-5(9)6(13-7)15-8-11-2-3-14-8/h2-4H,1H3,(H,10,12,13)
InChIKeyGEFLVVNQKXEFQI-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.80
Rot. Bonds3

About 5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine

5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine (PubChem CID 106928252) has the molecular formula C8H7FN4OS and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
PubChem CID106928252
Molecular FormulaC8H7FN4OS
Molecular Weight226.24 g/mol
Exact Mass226.03
IUPAC Name5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2ncco2)n1
InChIInChI=1S/C8H7FN4OS/c1-10-7-12-4-5(9)6(13-7)15-8-11-2-3-14-8/h2-4H,1H3,(H,10,12,13)
InChIKeyGEFLVVNQKXEFQI-UHFFFAOYSA-N
XLogP1.80
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923484
4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928204
N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928238
5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 106928253
6-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928260
6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928261
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine (CID 106928252) is 5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine is CNc1ncc(F)c(Sc2ncco2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is GEFLVVNQKXEFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4OS/c1-10-7-12-4-5(9)6(13-7)15-8-11-2-3-14-8/h2-4H,1H3,(H,10,12,13).
What are the key properties of 5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine?
5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 226.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 106928252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).