2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide

C10H13N7O3S — CID 4113951

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)CSc2nc(N)cc(N)n2)o1
InChIInChI=1S/C10H13N7O3S/c1-19-3-8-16-17-9(20-8)15-7(18)4-21-10-13-5(11)2-6(12)14-10/h2H,3-4H2,1H3,(H,15,17,18)(H4,11,12,13,14)
InChIKeySBTODFOSSLWWJB-UHFFFAOYSA-N
MW311.33 g/mol
LogP-0.10
Rot. Bonds6

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 4113951) has the molecular formula C10H13N7O3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID4113951
Molecular FormulaC10H13N7O3S
Molecular Weight311.33 g/mol
Exact Mass311.08
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)CSc2nc(N)cc(N)n2)o1
InChIInChI=1S/C10H13N7O3S/c1-19-3-8-16-17-9(20-8)15-7(18)4-21-10-13-5(11)2-6(12)14-10/h2H,3-4H2,1H3,(H,15,17,18)(H4,11,12,13,14)
InChIKeySBTODFOSSLWWJB-UHFFFAOYSA-N
XLogP-0.10
TPSA155.07 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3668530
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CID 3479531
N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3671552
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
CID 115280614
2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 2224520
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295635
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 593667
ethyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]acetate
CID 647473
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 5147520
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 863621
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 4805262
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CID 61297344

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 4113951) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide is COCc1nnc(NC(=O)CSc2nc(N)cc(N)n2)o1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is SBTODFOSSLWWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O3S/c1-19-3-8-16-17-9(20-8)15-7(18)4-21-10-13-5(11)2-6(12)14-10/h2H,3-4H2,1H3,(H,15,17,18)(H4,11,12,13,14).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 311.33 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 4113951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).