2-amino-7,9-dihydropurin-8-one

C5H5N5O — CID 5356758

IUPAC2-amino-7,9-dihydropurin-8-one
SMILESNc1ncc2[nH]c(=O)[nH]c2n1
InChIInChI=1S/C5H5N5O/c6-4-7-1-2-3(9-4)10-5(11)8-2/h1H,(H4,6,7,8,9,10,11)
InChIKeyLEFZRUQODOYVMO-UHFFFAOYSA-N
MW151.13 g/mol
LogP-0.77
Rot. Bonds

About 2-amino-7,9-dihydropurin-8-one

2-amino-7,9-dihydropurin-8-one (PubChem CID 5356758) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 2-amino-7,9-dihydropurin-8-one.

Molecular Properties

Compound Name2-amino-7,9-dihydropurin-8-one
PubChem CID5356758
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name2-amino-7,9-dihydropurin-8-one
SMILESNc1ncc2[nH]c(=O)[nH]c2n1
InChIInChI=1S/C5H5N5O/c6-4-7-1-2-3(9-4)10-5(11)8-2/h1H,(H4,6,7,8,9,10,11)
InChIKeyLEFZRUQODOYVMO-UHFFFAOYSA-N
XLogP-0.77
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,9-dihydropurin-8-one?
The IUPAC name of 2-amino-7,9-dihydropurin-8-one (CID 5356758) is 2-amino-7,9-dihydropurin-8-one.
What is the SMILES notation for 2-amino-7,9-dihydropurin-8-one?
The canonical SMILES for 2-amino-7,9-dihydropurin-8-one is Nc1ncc2[nH]c(=O)[nH]c2n1.
What is the InChIKey of 2-amino-7,9-dihydropurin-8-one?
The InChIKey is LEFZRUQODOYVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c6-4-7-1-2-3(9-4)10-5(11)8-2/h1H,(H4,6,7,8,9,10,11).
What are the key properties of 2-amino-7,9-dihydropurin-8-one?
2-amino-7,9-dihydropurin-8-one has a molecular weight of 151.13 g/mol, XLogP of -0.77, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,9-dihydropurin-8-one is sourced from PubChem (CID 5356758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).