N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C10H12N6O2S — CID 592788

IUPACN-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nonc2N)n1
InChIInChI=1S/C10H12N6O2S/c1-5-3-6(2)13-10(12-5)19-4-7(17)14-9-8(11)15-18-16-9/h3H,4H2,1-2H3,(H2,11,15)(H,14,16,17)
InChIKeyBSAGXNAHVXPSBL-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.79
Rot. Bonds4

About N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 592788) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID592788
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nonc2N)n1
InChIInChI=1S/C10H12N6O2S/c1-5-3-6(2)13-10(12-5)19-4-7(17)14-9-8(11)15-18-16-9/h3H,4H2,1-2H3,(H2,11,15)(H,14,16,17)
InChIKeyBSAGXNAHVXPSBL-UHFFFAOYSA-N
XLogP0.79
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 592788) is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)Nc2nonc2N)n1.
What is the InChIKey of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is BSAGXNAHVXPSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-5-3-6(2)13-10(12-5)19-4-7(17)14-9-8(11)15-18-16-9/h3H,4H2,1-2H3,(H2,11,15)(H,14,16,17).
What are the key properties of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 280.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 592788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).