2,6-diamino-7,9-dihydropurin-8-one

C5H6N6O — CID 5355246

IUPAC2,6-diamino-7,9-dihydropurin-8-one
SMILESNc1nc(N)c2[nH]c(=O)[nH]c2n1
InChIInChI=1S/C5H6N6O/c6-2-1-3(10-4(7)9-2)11-5(12)8-1/h(H6,6,7,8,9,10,11,12)
InChIKeyLREVGBUCKQNOFO-UHFFFAOYSA-N
MW166.14 g/mol
LogP-1.19
Rot. Bonds

About 2,6-diamino-7,9-dihydropurin-8-one

2,6-diamino-7,9-dihydropurin-8-one (PubChem CID 5355246) has the molecular formula C5H6N6O and a molecular weight of 166.14 g/mol. Its IUPAC name is 2,6-diamino-7,9-dihydropurin-8-one.

Molecular Properties

Compound Name2,6-diamino-7,9-dihydropurin-8-one
PubChem CID5355246
Molecular FormulaC5H6N6O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name2,6-diamino-7,9-dihydropurin-8-one
SMILESNc1nc(N)c2[nH]c(=O)[nH]c2n1
InChIInChI=1S/C5H6N6O/c6-2-1-3(10-4(7)9-2)11-5(12)8-1/h(H6,6,7,8,9,10,11,12)
InChIKeyLREVGBUCKQNOFO-UHFFFAOYSA-N
XLogP-1.19
TPSA126.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-7,9-dihydropurin-8-one?
The IUPAC name of 2,6-diamino-7,9-dihydropurin-8-one (CID 5355246) is 2,6-diamino-7,9-dihydropurin-8-one.
What is the SMILES notation for 2,6-diamino-7,9-dihydropurin-8-one?
The canonical SMILES for 2,6-diamino-7,9-dihydropurin-8-one is Nc1nc(N)c2[nH]c(=O)[nH]c2n1.
What is the InChIKey of 2,6-diamino-7,9-dihydropurin-8-one?
The InChIKey is LREVGBUCKQNOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O/c6-2-1-3(10-4(7)9-2)11-5(12)8-1/h(H6,6,7,8,9,10,11,12).
What are the key properties of 2,6-diamino-7,9-dihydropurin-8-one?
2,6-diamino-7,9-dihydropurin-8-one has a molecular weight of 166.14 g/mol, XLogP of -1.19, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-7,9-dihydropurin-8-one is sourced from PubChem (CID 5355246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).