6-(ethylamino)-3,7-dihydropurin-2-one

C7H9N5O — CID 86270676

IUPAC6-(ethylamino)-3,7-dihydropurin-2-one
SMILESCCNc1nc(=O)[nH]c2nc[nH]c12
InChIInChI=1S/C7H9N5O/c1-2-8-5-4-6(10-3-9-4)12-7(13)11-5/h3H,2H2,1H3,(H3,8,9,10,11,12,13)
InChIKeyFSQGCKBWFLQXHD-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.08
Rot. Bonds2

About 6-(ethylamino)-3,7-dihydropurin-2-one

6-(ethylamino)-3,7-dihydropurin-2-one (PubChem CID 86270676) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-(ethylamino)-3,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-(ethylamino)-3,7-dihydropurin-2-one
PubChem CID86270676
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name6-(ethylamino)-3,7-dihydropurin-2-one
SMILESCCNc1nc(=O)[nH]c2nc[nH]c12
InChIInChI=1S/C7H9N5O/c1-2-8-5-4-6(10-3-9-4)12-7(13)11-5/h3H,2H2,1H3,(H3,8,9,10,11,12,13)
InChIKeyFSQGCKBWFLQXHD-UHFFFAOYSA-N
XLogP0.08
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-3,7-dihydropurin-2-one?
The IUPAC name of 6-(ethylamino)-3,7-dihydropurin-2-one (CID 86270676) is 6-(ethylamino)-3,7-dihydropurin-2-one.
What is the SMILES notation for 6-(ethylamino)-3,7-dihydropurin-2-one?
The canonical SMILES for 6-(ethylamino)-3,7-dihydropurin-2-one is CCNc1nc(=O)[nH]c2nc[nH]c12.
What is the InChIKey of 6-(ethylamino)-3,7-dihydropurin-2-one?
The InChIKey is FSQGCKBWFLQXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-2-8-5-4-6(10-3-9-4)12-7(13)11-5/h3H,2H2,1H3,(H3,8,9,10,11,12,13).
What are the key properties of 6-(ethylamino)-3,7-dihydropurin-2-one?
6-(ethylamino)-3,7-dihydropurin-2-one has a molecular weight of 179.18 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-3,7-dihydropurin-2-one is sourced from PubChem (CID 86270676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).