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

C11H16N7O3S+ — CID 53295635

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
SMILESCOCC[n+]1cc(NC(=O)CSc2nc(N)cc(N)n2)on1
InChIInChI=1S/C11H15N7O3S/c1-20-3-2-18-5-10(21-17-18)16-9(19)6-22-11-14-7(12)4-8(13)15-11/h4-5H,2-3,6H2,1H3,(H4-,12,13,14,15,16,17,19)/p+1
InChIKeyNQGCTWNYQHQJLR-UHFFFAOYSA-O
MW326.36 g/mol
LogP-0.71
Rot. Bonds7

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

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide (PubChem CID 53295635) has the molecular formula C11H16N7O3S+ and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
PubChem CID53295635
Molecular FormulaC11H16N7O3S+
Molecular Weight326.36 g/mol
Exact Mass326.10
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
SMILESCOCC[n+]1cc(NC(=O)CSc2nc(N)cc(N)n2)on1
InChIInChI=1S/C11H15N7O3S/c1-20-3-2-18-5-10(21-17-18)16-9(19)6-22-11-14-7(12)4-8(13)15-11/h4-5H,2-3,6H2,1H3,(H4-,12,13,14,15,16,17,19)/p+1
InChIKeyNQGCTWNYQHQJLR-UHFFFAOYSA-O
XLogP-0.71
TPSA146.06 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide
CID 53295755
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295873
N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 53295687
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295663
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295889
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295885
2-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295683
N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]benzamide
CID 53275257
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4113951
N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[(4E)-5-oxo-1-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-2-yl]sulfanylacetamide
CID 53295757
2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295671
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyloxadiazol-3-ium-5-yl)acetamide
CID 53294243

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide (CID 53295635) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide is COCC[n+]1cc(NC(=O)CSc2nc(N)cc(N)n2)on1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide?
The InChIKey is NQGCTWNYQHQJLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15N7O3S/c1-20-3-2-18-5-10(21-17-18)16-9(19)6-22-11-14-7(12)4-8(13)15-11/h4-5H,2-3,6H2,1H3,(H4-,12,13,14,15,16,17,19)/p+1.
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide has a molecular weight of 326.36 g/mol, XLogP of -0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide is sourced from PubChem (CID 53295635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).