8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione

C10H6FN5O2 — CID 114402872

IUPAC8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c(=O)c2[nH]c(-c3ccc(F)cn3)nc2[nH]1
InChIInChI=1S/C10H6FN5O2/c11-4-1-2-5(12-3-4)7-13-6-8(14-7)15-10(18)16-9(6)17/h1-3H,(H3,13,14,15,16,17,18)
InChIKeyZGNBDVJVZPHTKX-UHFFFAOYSA-N
MW247.19 g/mol
LogP0.14
Rot. Bonds1

About 8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione

8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione (PubChem CID 114402872) has the molecular formula C10H6FN5O2 and a molecular weight of 247.19 g/mol. Its IUPAC name is 8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione
PubChem CID114402872
Molecular FormulaC10H6FN5O2
Molecular Weight247.19 g/mol
Exact Mass247.05
IUPAC Name8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c(=O)c2[nH]c(-c3ccc(F)cn3)nc2[nH]1
InChIInChI=1S/C10H6FN5O2/c11-4-1-2-5(12-3-4)7-13-6-8(14-7)15-10(18)16-9(6)17/h1-3H,(H3,13,14,15,16,17,18)
InChIKeyZGNBDVJVZPHTKX-UHFFFAOYSA-N
XLogP0.14
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione?
The IUPAC name of 8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione (CID 114402872) is 8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione is O=c1[nH]c(=O)c2[nH]c(-c3ccc(F)cn3)nc2[nH]1.
What is the InChIKey of 8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione?
The InChIKey is ZGNBDVJVZPHTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN5O2/c11-4-1-2-5(12-3-4)7-13-6-8(14-7)15-10(18)16-9(6)17/h1-3H,(H3,13,14,15,16,17,18).
What are the key properties of 8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione?
8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione has a molecular weight of 247.19 g/mol, XLogP of 0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-2-pyridinyl)-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 114402872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).