5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine

C8H7FN4OS — CID 106928514

IUPAC5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1coc(Sc2nc(N)ncc2F)n1
InChIInChI=1S/C8H7FN4OS/c1-4-3-14-8(12-4)15-6-5(9)2-11-7(10)13-6/h2-3H,1H3,(H2,10,11,13)
InChIKeyWBBBLHQVWVGKIE-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.65
Rot. Bonds2

About 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine

5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine (PubChem CID 106928514) has the molecular formula C8H7FN4OS and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
PubChem CID106928514
Molecular FormulaC8H7FN4OS
Molecular Weight226.24 g/mol
Exact Mass226.03
IUPAC Name5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1coc(Sc2nc(N)ncc2F)n1
InChIInChI=1S/C8H7FN4OS/c1-4-3-14-8(12-4)15-6-5(9)2-11-7(10)13-6/h2-3H,1H3,(H2,10,11,13)
InChIKeyWBBBLHQVWVGKIE-UHFFFAOYSA-N
XLogP1.65
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.65
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-(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-Fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923496
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923555
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
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-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928434
5-fluoro-N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928448

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine (CID 106928514) is 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine is Cc1coc(Sc2nc(N)ncc2F)n1.
What is the InChIKey of 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
The InChIKey is WBBBLHQVWVGKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4OS/c1-4-3-14-8(12-4)15-6-5(9)2-11-7(10)13-6/h2-3H,1H3,(H2,10,11,13).
What are the key properties of 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine has a molecular weight of 226.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 106928514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).