8-amino-3,5-dihydropurine-2,6-dione

C5H5N5O2 — CID 135754539

IUPAC8-amino-3,5-dihydropurine-2,6-dione
SMILESNC1=NC2C(=O)NC(=O)NC2=N1
InChIInChI=1S/C5H5N5O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h1H,(H4,6,7,8,9,10,11,12)
InChIKeyPMFRALVQKDUCKL-UHFFFAOYSA-N
MW167.13 g/mol
LogP-2.08
Rot. Bonds

About 8-amino-3,5-dihydropurine-2,6-dione

8-amino-3,5-dihydropurine-2,6-dione (PubChem CID 135754539) has the molecular formula C5H5N5O2 and a molecular weight of 167.13 g/mol. Its IUPAC name is 8-amino-3,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-amino-3,5-dihydropurine-2,6-dione
PubChem CID135754539
Molecular FormulaC5H5N5O2
Molecular Weight167.13 g/mol
Exact Mass167.04
IUPAC Name8-amino-3,5-dihydropurine-2,6-dione
SMILESNC1=NC2C(=O)NC(=O)NC2=N1
InChIInChI=1S/C5H5N5O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h1H,(H4,6,7,8,9,10,11,12)
InChIKeyPMFRALVQKDUCKL-UHFFFAOYSA-N
XLogP-2.08
TPSA108.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3,5-dihydropurine-2,6-dione?
The IUPAC name of 8-amino-3,5-dihydropurine-2,6-dione (CID 135754539) is 8-amino-3,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-amino-3,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-amino-3,5-dihydropurine-2,6-dione is NC1=NC2C(=O)NC(=O)NC2=N1.
What is the InChIKey of 8-amino-3,5-dihydropurine-2,6-dione?
The InChIKey is PMFRALVQKDUCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h1H,(H4,6,7,8,9,10,11,12).
What are the key properties of 8-amino-3,5-dihydropurine-2,6-dione?
8-amino-3,5-dihydropurine-2,6-dione has a molecular weight of 167.13 g/mol, XLogP of -2.08, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3,5-dihydropurine-2,6-dione is sourced from PubChem (CID 135754539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).