6-(ethylamino)-7H-purine-2-carboxylic acid

C8H9N5O2 — CID 68969442

IUPAC6-(ethylamino)-7H-purine-2-carboxylic acid
SMILESCCNc1nc(C(=O)O)nc2nc[nH]c12
InChIInChI=1S/C8H9N5O2/c1-2-9-5-4-6(11-3-10-4)13-7(12-5)8(14)15/h3H,2H2,1H3,(H,14,15)(H2,9,10,11,12,13)
InChIKeyUVSCTWAGCKLWFL-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.48
Rot. Bonds3

About 6-(ethylamino)-7H-purine-2-carboxylic acid

6-(ethylamino)-7H-purine-2-carboxylic acid (PubChem CID 68969442) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 6-(ethylamino)-7H-purine-2-carboxylic acid.

Molecular Properties

Compound Name6-(ethylamino)-7H-purine-2-carboxylic acid
PubChem CID68969442
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name6-(ethylamino)-7H-purine-2-carboxylic acid
SMILESCCNc1nc(C(=O)O)nc2nc[nH]c12
InChIInChI=1S/C8H9N5O2/c1-2-9-5-4-6(11-3-10-4)13-7(12-5)8(14)15/h3H,2H2,1H3,(H,14,15)(H2,9,10,11,12,13)
InChIKeyUVSCTWAGCKLWFL-UHFFFAOYSA-N
XLogP0.48
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-7H-purine-2-carboxylic acid?
The IUPAC name of 6-(ethylamino)-7H-purine-2-carboxylic acid (CID 68969442) is 6-(ethylamino)-7H-purine-2-carboxylic acid.
What is the SMILES notation for 6-(ethylamino)-7H-purine-2-carboxylic acid?
The canonical SMILES for 6-(ethylamino)-7H-purine-2-carboxylic acid is CCNc1nc(C(=O)O)nc2nc[nH]c12.
What is the InChIKey of 6-(ethylamino)-7H-purine-2-carboxylic acid?
The InChIKey is UVSCTWAGCKLWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-2-9-5-4-6(11-3-10-4)13-7(12-5)8(14)15/h3H,2H2,1H3,(H,14,15)(H2,9,10,11,12,13).
What are the key properties of 6-(ethylamino)-7H-purine-2-carboxylic acid?
6-(ethylamino)-7H-purine-2-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-7H-purine-2-carboxylic acid is sourced from PubChem (CID 68969442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).