5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole

C12H16N4OS — CID 30469736

IUPAC5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CSc2nc(C)cc(C)n2)n1
InChIInChI=1S/C12H16N4OS/c1-4-5-10-15-11(17-16-10)7-18-12-13-8(2)6-9(3)14-12/h6H,4-5,7H2,1-3H3
InChIKeySZJJYFPKRNQGGG-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.72
Rot. Bonds5

About 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole

5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 30469736) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID30469736
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CSc2nc(C)cc(C)n2)n1
InChIInChI=1S/C12H16N4OS/c1-4-5-10-15-11(17-16-10)7-18-12-13-8(2)6-9(3)14-12/h6H,4-5,7H2,1-3H3
InChIKeySZJJYFPKRNQGGG-UHFFFAOYSA-N
XLogP2.72
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 135456867
CID 135456867
CID 72157832
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CID 135464093
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CID 172859362
CID 172859362
CID 172015573
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CID 47014371
CID 47014371
CID 56748344
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CID 136015449
CID 136015449

Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole (CID 30469736) is 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CSc2nc(C)cc(C)n2)n1.
What is the InChIKey of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is SZJJYFPKRNQGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-4-5-10-15-11(17-16-10)7-18-12-13-8(2)6-9(3)14-12/h6H,4-5,7H2,1-3H3.
What are the key properties of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 264.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 30469736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).