N-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide

C13H13N7O2S — CID 167288082

IUPACN-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide
SMILESNc1ccc(NC(=O)CSc2nc(N)nc3nc[nH]c23)c(O)c1
InChIInChI=1S/C13H13N7O2S/c14-6-1-2-7(8(21)3-6)18-9(22)4-23-12-10-11(17-5-16-10)19-13(15)20-12/h1-3,5,21H,4,14H2,(H,18,22)(H3,15,16,17,19,20)
InChIKeyOIHLDABSVICOQF-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.95
Rot. Bonds4

About N-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide

N-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide (PubChem CID 167288082) has the molecular formula C13H13N7O2S and a molecular weight of 331.36 g/mol. Its IUPAC name is N-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide
PubChem CID167288082
Molecular FormulaC13H13N7O2S
Molecular Weight331.36 g/mol
Exact Mass331.09
IUPAC NameN-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide
SMILESNc1ccc(NC(=O)CSc2nc(N)nc3nc[nH]c23)c(O)c1
InChIInChI=1S/C13H13N7O2S/c14-6-1-2-7(8(21)3-6)18-9(22)4-23-12-10-11(17-5-16-10)19-13(15)20-12/h1-3,5,21H,4,14H2,(H,18,22)(H3,15,16,17,19,20)
InChIKeyOIHLDABSVICOQF-UHFFFAOYSA-N
XLogP0.95
TPSA155.83 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]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

2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(2,4-difluoro-5-hydroxyphenyl)acetamide
CID 167287999
2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4,6-difluoropyrimidin-2-yl)acetamide
CID 166565114
1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one
CID 3336308
methyl 5-[[2-[(2-amino-7H-purin-6-yl)sulfanyl]acetyl]amino]-2-methoxybenzoate
CID 167288017
2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 167287889
3-[(2-amino-7H-purin-6-yl)sulfanyl]propane-1,2-diol
CID 114788446
N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide
CID 21371017
5-[[2-[(2-amino-7H-purin-6-yl)sulfanyl]-2-methylbutanoyl]amino]-2-hydroxybenzoic acid
CID 166565196
2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-hydroxy-3-methoxyphenyl)butanamide
CID 166565091
N-(4-iodophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide
CID 19059102
2-[[2-(2-fluorophenyl)-7H-purin-6-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3688071
(2R)-3-[(2-amino-7H-purin-6-yl)sulfanyl]-2-[(3,4-dimethoxybenzoyl)amino]propanoic acid
CID 167287922

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide (CID 167288082) is N-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide is Nc1ccc(NC(=O)CSc2nc(N)nc3nc[nH]c23)c(O)c1.
What is the InChIKey of N-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide?
The InChIKey is OIHLDABSVICOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2S/c14-6-1-2-7(8(21)3-6)18-9(22)4-23-12-10-11(17-5-16-10)19-13(15)20-12/h1-3,5,21H,4,14H2,(H,18,22)(H3,15,16,17,19,20).
What are the key properties of N-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide?
N-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide has a molecular weight of 331.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-hydroxyphenyl)-2-[(2-amino-7H-purin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 167288082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).