5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide

C11H11N7OS — CID 63580583

IUPAC5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cnc3c(N)ncnc32)s1
InChIInChI=1S/C11H11N7OS/c12-9-8-10(15-4-14-9)18(5-16-8)3-6-1-2-7(20-6)11(19)17-13/h1-2,4-5H,3,13H2,(H,17,19)(H2,12,14,15)
InChIKeyOIWMIHARLLVQME-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.12
Rot. Bonds3

About 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide

5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 63580583) has the molecular formula C11H11N7OS and a molecular weight of 289.32 g/mol. Its IUPAC name is 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide
PubChem CID63580583
Molecular FormulaC11H11N7OS
Molecular Weight289.32 g/mol
Exact Mass289.07
IUPAC Name5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cnc3c(N)ncnc32)s1
InChIInChI=1S/C11H11N7OS/c12-9-8-10(15-4-14-9)18(5-16-8)3-6-1-2-7(20-6)11(19)17-13/h1-2,4-5H,3,13H2,(H,17,19)(H2,12,14,15)
InChIKeyOIWMIHARLLVQME-UHFFFAOYSA-N
XLogP0.12
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid
CID 63377975
6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide
CID 106909508
5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 112595889
5-[(6-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63795798
4-[(6-aminopurin-9-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80730598
5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55249100
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 102148000
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
4-[(6-aminopurin-9-yl)methyl]-3-chlorobenzamide
CID 102669744
ethyl 4-(6-aminopurin-9-yl)-3-oxobutanoate
CID 63899088

Frequently Asked Questions

What is the IUPAC name of 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide (CID 63580583) is 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide is NNC(=O)c1ccc(Cn2cnc3c(N)ncnc32)s1.
What is the InChIKey of 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is OIWMIHARLLVQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7OS/c12-9-8-10(15-4-14-9)18(5-16-8)3-6-1-2-7(20-6)11(19)17-13/h1-2,4-5H,3,13H2,(H,17,19)(H2,12,14,15).
What are the key properties of 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide?
5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 289.32 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63580583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).