1-pyridin-2-yl-3,7-dihydropurine-2,6-dione

C10H7N5O2 — CID 170328644

IUPAC1-pyridin-2-yl-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c2nc[nH]c2c(=O)n1-c1ccccn1
InChIInChI=1S/C10H7N5O2/c16-9-7-8(13-5-12-7)14-10(17)15(9)6-3-1-2-4-11-6/h1-5H,(H,12,13)(H,14,17)
InChIKeyGCWIDJYPNNMSKT-UHFFFAOYSA-N
MW229.20 g/mol
LogP-0.20
Rot. Bonds1

About 1-pyridin-2-yl-3,7-dihydropurine-2,6-dione

1-pyridin-2-yl-3,7-dihydropurine-2,6-dione (PubChem CID 170328644) has the molecular formula C10H7N5O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 1-pyridin-2-yl-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name1-pyridin-2-yl-3,7-dihydropurine-2,6-dione
PubChem CID170328644
Molecular FormulaC10H7N5O2
Molecular Weight229.20 g/mol
Exact Mass229.06
IUPAC Name1-pyridin-2-yl-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c2nc[nH]c2c(=O)n1-c1ccccn1
InChIInChI=1S/C10H7N5O2/c16-9-7-8(13-5-12-7)14-10(17)15(9)6-3-1-2-4-11-6/h1-5H,(H,12,13)(H,14,17)
InChIKeyGCWIDJYPNNMSKT-UHFFFAOYSA-N
XLogP-0.20
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3,7-dihydropurine-2,6-dione?
The IUPAC name of 1-pyridin-2-yl-3,7-dihydropurine-2,6-dione (CID 170328644) is 1-pyridin-2-yl-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 1-pyridin-2-yl-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 1-pyridin-2-yl-3,7-dihydropurine-2,6-dione is O=c1[nH]c2nc[nH]c2c(=O)n1-c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-3,7-dihydropurine-2,6-dione?
The InChIKey is GCWIDJYPNNMSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2/c16-9-7-8(13-5-12-7)14-10(17)15(9)6-3-1-2-4-11-6/h1-5H,(H,12,13)(H,14,17).
What are the key properties of 1-pyridin-2-yl-3,7-dihydropurine-2,6-dione?
1-pyridin-2-yl-3,7-dihydropurine-2,6-dione has a molecular weight of 229.20 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 170328644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).