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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Related Compounds

2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
CID 80545968
2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
CID 133408625
4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine
CID 80545990
4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine
CID 1488149
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928592
2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923554
4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
CID 80545886
4-chloro-2-methylsulfanyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 80545818
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923542
2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80890698
2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol
CID 80545723
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline
CID 106921680

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).