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

C9H10N4OS — CID 175319189

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1cc(C)nc(SCc2nnco2)n1
InChIInChI=1S/C9H10N4OS/c1-6-3-7(2)12-9(11-6)15-4-8-13-10-5-14-8/h3,5H,4H2,1-2H3
InChIKeySCFXEPLKYJTGRT-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.77
Rot. Bonds3

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

2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 175319189) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID175319189
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1cc(C)nc(SCc2nnco2)n1
InChIInChI=1S/C9H10N4OS/c1-6-3-7(2)12-9(11-6)15-4-8-13-10-5-14-8/h3,5H,4H2,1-2H3
InChIKeySCFXEPLKYJTGRT-UHFFFAOYSA-N
XLogP1.77
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 175319189) is 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is Cc1cc(C)nc(SCc2nnco2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is SCFXEPLKYJTGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-6-3-7(2)12-9(11-6)15-4-8-13-10-5-14-8/h3,5H,4H2,1-2H3.
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 222.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 175319189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).