2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole

C9H9ClN4OS — CID 63732079

IUPAC2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
SMILESCCc1c(Cl)ncnc1Sc1nnc(C)o1
InChIInChI=1S/C9H9ClN4OS/c1-3-6-7(10)11-4-12-8(6)16-9-14-13-5(2)15-9/h4H,3H2,1-2H3
InChIKeyGLZWYFZBPLOLKQ-UHFFFAOYSA-N
MW256.72 g/mol
LogP2.54
Rot. Bonds3

About 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole

2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole (PubChem CID 63732079) has the molecular formula C9H9ClN4OS and a molecular weight of 256.72 g/mol. Its IUPAC name is 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
PubChem CID63732079
Molecular FormulaC9H9ClN4OS
Molecular Weight256.72 g/mol
Exact Mass256.02
IUPAC Name2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
SMILESCCc1c(Cl)ncnc1Sc1nnc(C)o1
InChIInChI=1S/C9H9ClN4OS/c1-3-6-7(10)11-4-12-8(6)16-9-14-13-5(2)15-9/h4H,3H2,1-2H3
InChIKeyGLZWYFZBPLOLKQ-UHFFFAOYSA-N
XLogP2.54
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole (CID 63732079) is 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole is CCc1c(Cl)ncnc1Sc1nnc(C)o1.
What is the InChIKey of 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole?
The InChIKey is GLZWYFZBPLOLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS/c1-3-6-7(10)11-4-12-8(6)16-9-14-13-5(2)15-9/h4H,3H2,1-2H3.
What are the key properties of 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole?
2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole has a molecular weight of 256.72 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 63732079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).