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

C8H10N8O2S — CID 593667

IUPACN-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2nonc2N)n1
InChIInChI=1S/C8H10N8O2S/c9-3-1-4(10)13-8(12-3)19-2-5(17)14-7-6(11)15-18-16-7/h1H,2H2,(H2,11,15)(H,14,16,17)(H4,9,10,12,13)
InChIKeyRVFDWSPNACRHJY-UHFFFAOYSA-N
MW282.29 g/mol
LogP-0.66
Rot. Bonds4

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

N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (PubChem CID 593667) has the molecular formula C8H10N8O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
PubChem CID593667
Molecular FormulaC8H10N8O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2nonc2N)n1
InChIInChI=1S/C8H10N8O2S/c9-3-1-4(10)13-8(12-3)19-2-5(17)14-7-6(11)15-18-16-7/h1H,2H2,(H2,11,15)(H,14,16,17)(H4,9,10,12,13)
InChIKeyRVFDWSPNACRHJY-UHFFFAOYSA-N
XLogP-0.66
TPSA171.86 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
CID 3910053
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 5294688
N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 1143775
2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 2224520
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 863621
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide
CID 4746027
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 4805262
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 3627095
N-(2-amino-4-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 61297344
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4113951
N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 60704992
N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 61296037

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (CID 593667) is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is Nc1cc(N)nc(SCC(=O)Nc2nonc2N)n1.
What is the InChIKey of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is RVFDWSPNACRHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N8O2S/c9-3-1-4(10)13-8(12-3)19-2-5(17)14-7-6(11)15-18-16-7/h1H,2H2,(H2,11,15)(H,14,16,17)(H4,9,10,12,13).
What are the key properties of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 282.29 g/mol, XLogP of -0.66, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 593667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).