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

C10H10ClN3OS2 — CID 106923495

IUPAC2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCSc1nc(Cl)cc(Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C10H10ClN3OS2/c1-5-6(2)15-10(12-5)17-8-4-7(11)13-9(14-8)16-3/h4H,1-3H3
InChIKeyBRZQPSUDOHRKRA-UHFFFAOYSA-N
MW287.80 g/mol
LogP3.61
Rot. Bonds3

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

2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole (PubChem CID 106923495) has the molecular formula C10H10ClN3OS2 and a molecular weight of 287.80 g/mol. Its IUPAC name is 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
PubChem CID106923495
Molecular FormulaC10H10ClN3OS2
Molecular Weight287.80 g/mol
Exact Mass287.00
IUPAC Name2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCSc1nc(Cl)cc(Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C10H10ClN3OS2/c1-5-6(2)15-10(12-5)17-8-4-7(11)13-9(14-8)16-3/h4H,1-3H3
InChIKeyBRZQPSUDOHRKRA-UHFFFAOYSA-N
XLogP3.61
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.80
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole (CID 106923495) is 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole is CSc1nc(Cl)cc(Sc2nc(C)c(C)o2)n1.
What is the InChIKey of 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The InChIKey is BRZQPSUDOHRKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS2/c1-5-6(2)15-10(12-5)17-8-4-7(11)13-9(14-8)16-3/h4H,1-3H3.
What are the key properties of 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole has a molecular weight of 287.80 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106923495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).