2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole

C9H8ClN3OS — CID 103525446

IUPAC2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2cc(Cl)nc(C)n2)n1
InChIInChI=1S/C9H8ClN3OS/c1-5-4-14-9(11-5)15-8-3-7(10)12-6(2)13-8/h3-4H,1-2H3
InChIKeyJIGOHLOEWQQCKM-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.89
Rot. Bonds2

About 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole

2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole (PubChem CID 103525446) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
PubChem CID103525446
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2cc(Cl)nc(C)n2)n1
InChIInChI=1S/C9H8ClN3OS/c1-5-4-14-9(11-5)15-8-3-7(10)12-6(2)13-8/h3-4H,1-2H3
InChIKeyJIGOHLOEWQQCKM-UHFFFAOYSA-N
XLogP2.89
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
CID 106923413
2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923419
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
CID 106923488
2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923489
N-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928434
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928456
N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928576
6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 113894287
4-Chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 71943121
2-[2-(Methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
CID 75375425
4-Chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 103525448
2-(2-Chloropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 103525449

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole (CID 103525446) is 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole is Cc1coc(Sc2cc(Cl)nc(C)n2)n1.
What is the InChIKey of 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The InChIKey is JIGOHLOEWQQCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c1-5-4-14-9(11-5)15-8-3-7(10)12-6(2)13-8/h3-4H,1-2H3.
What are the key properties of 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole has a molecular weight of 241.70 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 103525446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).