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

C11H9N5O2S — CID 63377975

IUPAC5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid
SMILESNc1ncnc2c1ncn2Cc1ccc(C(=O)O)s1
InChIInChI=1S/C11H9N5O2S/c12-9-8-10(14-4-13-9)16(5-15-8)3-6-1-2-7(19-6)11(17)18/h1-2,4-5H,3H2,(H,17,18)(H2,12,13,14)
InChIKeyNVYZMMOTKCTTDO-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.22
Rot. Bonds3

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

5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 63377975) has the molecular formula C11H9N5O2S and a molecular weight of 275.29 g/mol. Its IUPAC name is 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid
PubChem CID63377975
Molecular FormulaC11H9N5O2S
Molecular Weight275.29 g/mol
Exact Mass275.05
IUPAC Name5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid
SMILESNc1ncnc2c1ncn2Cc1ccc(C(=O)O)s1
InChIInChI=1S/C11H9N5O2S/c12-9-8-10(14-4-13-9)16(5-15-8)3-6-1-2-7(19-6)11(17)18/h1-2,4-5H,3H2,(H,17,18)(H2,12,13,14)
InChIKeyNVYZMMOTKCTTDO-UHFFFAOYSA-N
XLogP1.22
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide
CID 63580583
4-[(6-aminopurin-9-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80730598
4-[(6-aminopurin-9-yl)methyl]pyrimidine-5-carboxylic acid
CID 102973944
5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid
CID 63378048
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
9-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]purin-6-amine
CID 177370737
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562
5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 55184366
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
4-[(6-aminopurin-9-yl)methyl]-3-chlorobenzamide
CID 102669744
6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide
CID 106909508

Frequently Asked Questions

What is the IUPAC name of 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid (CID 63377975) is 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid is Nc1ncnc2c1ncn2Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is NVYZMMOTKCTTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S/c12-9-8-10(14-4-13-9)16(5-15-8)3-6-1-2-7(19-6)11(17)18/h1-2,4-5H,3H2,(H,17,18)(H2,12,13,14).
What are the key properties of 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid?
5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63377975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).