2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole

C10H10BrN3OS — CID 106923363

IUPAC2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESCC(C)c1nc(Br)cc(Sc2ncco2)n1
InChIInChI=1S/C10H10BrN3OS/c1-6(2)9-13-7(11)5-8(14-9)16-10-12-3-4-15-10/h3-6H,1-2H3
InChIKeyVAMGSOCEIORRJO-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.50
Rot. Bonds3

About 2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole

2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole (PubChem CID 106923363) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole
PubChem CID106923363
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESCC(C)c1nc(Br)cc(Sc2ncco2)n1
InChIInChI=1S/C10H10BrN3OS/c1-6(2)9-13-7(11)5-8(14-9)16-10-12-3-4-15-10/h3-6H,1-2H3
InChIKeyVAMGSOCEIORRJO-UHFFFAOYSA-N
XLogP3.50
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928339
4-bromo-6-(2-methylfuran-3-yl)sulfanyl-2-propan-2-ylpyrimidine
CID 107780843
N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928319
(1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol
CID 106926854
5-(1,3-oxazol-2-ylsulfanyl)pyrazin-2-amine
CID 106928163
(1R)-1-[6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]ethanamine
CID 106923159
2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole
CID 106898503
[2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 106928804
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 106928531
2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 106924193
4-bromo-6-methyl-2-propan-2-ylpyrimidine
CID 43517260
N-[[5-bromo-2-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 114062087

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
The IUPAC name of 2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole (CID 106923363) is 2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
The canonical SMILES for 2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole is CC(C)c1nc(Br)cc(Sc2ncco2)n1.
What is the InChIKey of 2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
The InChIKey is VAMGSOCEIORRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-6(2)9-13-7(11)5-8(14-9)16-10-12-3-4-15-10/h3-6H,1-2H3.
What are the key properties of 2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole has a molecular weight of 300.18 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 106923363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).