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

C10H12N4OS — CID 30469696

IUPAC5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1cc(C)nc(SCc2nc(C)no2)n1
InChIInChI=1S/C10H12N4OS/c1-6-4-7(2)12-10(11-6)16-5-9-13-8(3)14-15-9/h4H,5H2,1-3H3
InChIKeyIFTNAPPMOHJKEU-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.08
Rot. Bonds3

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

5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 30469696) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID30469696
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1cc(C)nc(SCc2nc(C)no2)n1
InChIInChI=1S/C10H12N4OS/c1-6-4-7(2)12-10(11-6)16-5-9-13-8(3)14-15-9/h4H,5H2,1-3H3
InChIKeyIFTNAPPMOHJKEU-UHFFFAOYSA-N
XLogP2.08
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide
CID 592788
2-((4,6-Dimethylpyrimidin-2-yl)thio)acetamide
CID 840853
5-[1-(2,6-Dimethylpyrimidin-4-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole
CID 45885448
2-(4,6-Dimethyl-pyrimidin-2-ylamino)-thiazol-4-one
CID 135449498
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazol-2-yl)acetamide
CID 135456867
2-(((3-Ethyl-1,2,4-oxadiazol-5-yl)methyl)thio)-6-methylpyrimidin-4-amine
CID 72157832
2-(4,6-Dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one
CID 135464093
6-Methyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-4-amine
CID 172859362
2-(4,6-Dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide
CID 172015573
6-Methyl-2-(((5-methyl-1,2,4-oxadiazol-3-yl)methyl)thio)pyrimidin-4-amine
CID 47014371
2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 56748344
(2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one bromide
CID 136015449

Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole (CID 30469696) is 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole is Cc1cc(C)nc(SCc2nc(C)no2)n1.
What is the InChIKey of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is IFTNAPPMOHJKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-6-4-7(2)12-10(11-6)16-5-9-13-8(3)14-15-9/h4H,5H2,1-3H3.
What are the key properties of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole?
5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 236.30 g/mol, XLogP of 2.08, 3 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-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 30469696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).