7H-purine;1H-pyridin-2-one

C10H9N5O — CID 158035118

IUPAC7H-purine;1H-pyridin-2-one
SMILESO=c1cccc[nH]1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.C5H5NO/c1-4-5(8-2-6-1)9-3-7-4;7-5-3-1-2-4-6-5/h1-3H,(H,6,7,8,9);1-4H,(H,6,7)
InChIKeyFHQOXEBKITUBHZ-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.73
Rot. Bonds

About 7H-purine;1H-pyridin-2-one

7H-purine;1H-pyridin-2-one (PubChem CID 158035118) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 7H-purine;1H-pyridin-2-one.

Molecular Properties

Compound Name7H-purine;1H-pyridin-2-one
PubChem CID158035118
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name7H-purine;1H-pyridin-2-one
SMILESO=c1cccc[nH]1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.C5H5NO/c1-4-5(8-2-6-1)9-3-7-4;7-5-3-1-2-4-6-5/h1-3H,(H,6,7,8,9);1-4H,(H,6,7)
InChIKeyFHQOXEBKITUBHZ-UHFFFAOYSA-N
XLogP0.73
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(211C)1H-pyridin-2-one
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7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane
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Frequently Asked Questions

What is the IUPAC name of 7H-purine;1H-pyridin-2-one?
The IUPAC name of 7H-purine;1H-pyridin-2-one (CID 158035118) is 7H-purine;1H-pyridin-2-one.
What is the SMILES notation for 7H-purine;1H-pyridin-2-one?
The canonical SMILES for 7H-purine;1H-pyridin-2-one is O=c1cccc[nH]1.c1ncc2[nH]cnc2n1.
What is the InChIKey of 7H-purine;1H-pyridin-2-one?
The InChIKey is FHQOXEBKITUBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4.C5H5NO/c1-4-5(8-2-6-1)9-3-7-4;7-5-3-1-2-4-6-5/h1-3H,(H,6,7,8,9);1-4H,(H,6,7).
What are the key properties of 7H-purine;1H-pyridin-2-one?
7H-purine;1H-pyridin-2-one has a molecular weight of 215.22 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purine;1H-pyridin-2-one is sourced from PubChem (CID 158035118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).