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

C8H6ClN3OS — CID 106923349

IUPAC2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESCc1cc(Sc2ncco2)nc(Cl)n1
InChIInChI=1S/C8H6ClN3OS/c1-5-4-6(12-7(9)11-5)14-8-10-2-3-13-8/h2-4H,1H3
InChIKeyIVHQSTZWEWTWAN-UHFFFAOYSA-N
MW227.68 g/mol
LogP2.58
Rot. Bonds2

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

2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole (PubChem CID 106923349) has the molecular formula C8H6ClN3OS and a molecular weight of 227.68 g/mol. Its IUPAC name is 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole
PubChem CID106923349
Molecular FormulaC8H6ClN3OS
Molecular Weight227.68 g/mol
Exact Mass226.99
IUPAC Name2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESCc1cc(Sc2ncco2)nc(Cl)n1
InChIInChI=1S/C8H6ClN3OS/c1-5-4-6(12-7(9)11-5)14-8-10-2-3-13-8/h2-4H,1H3
InChIKeyIVHQSTZWEWTWAN-UHFFFAOYSA-N
XLogP2.58
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole
CID 100705598
2-(6-Fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923340
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
CID 106923411
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923484
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
CID 106923488
4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928204
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928314
4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928315
N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928356
[4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 106928783
2-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole
CID 121588625
2-(5-Fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 126790264

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
The IUPAC name of 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole (CID 106923349) is 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
The canonical SMILES for 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole is Cc1cc(Sc2ncco2)nc(Cl)n1.
What is the InChIKey of 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
The InChIKey is IVHQSTZWEWTWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3OS/c1-5-4-6(12-7(9)11-5)14-8-10-2-3-13-8/h2-4H,1H3.
What are the key properties of 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole has a molecular weight of 227.68 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 106923349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).