7-phenylpyrano[2,3-d]pyrimidin-5-one

C13H8N2O2 — CID 123727420

IUPAC7-phenylpyrano[2,3-d]pyrimidin-5-one
SMILESO=c1cc(-c2ccccc2)oc2ncncc12
InChIInChI=1S/C13H8N2O2/c16-11-6-12(9-4-2-1-3-5-9)17-13-10(11)7-14-8-15-13/h1-8H
InChIKeyAAUHZVVDULWYAH-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.25
Rot. Bonds1

About 7-phenylpyrano[2,3-d]pyrimidin-5-one

7-phenylpyrano[2,3-d]pyrimidin-5-one (PubChem CID 123727420) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 7-phenylpyrano[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name7-phenylpyrano[2,3-d]pyrimidin-5-one
PubChem CID123727420
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name7-phenylpyrano[2,3-d]pyrimidin-5-one
SMILESO=c1cc(-c2ccccc2)oc2ncncc12
InChIInChI=1S/C13H8N2O2/c16-11-6-12(9-4-2-1-3-5-9)17-13-10(11)7-14-8-15-13/h1-8H
InChIKeyAAUHZVVDULWYAH-UHFFFAOYSA-N
XLogP2.25
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenylpyrano[2,3-d]pyrimidin-5-one?
The IUPAC name of 7-phenylpyrano[2,3-d]pyrimidin-5-one (CID 123727420) is 7-phenylpyrano[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 7-phenylpyrano[2,3-d]pyrimidin-5-one?
The canonical SMILES for 7-phenylpyrano[2,3-d]pyrimidin-5-one is O=c1cc(-c2ccccc2)oc2ncncc12.
What is the InChIKey of 7-phenylpyrano[2,3-d]pyrimidin-5-one?
The InChIKey is AAUHZVVDULWYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c16-11-6-12(9-4-2-1-3-5-9)17-13-10(11)7-14-8-15-13/h1-8H.
What are the key properties of 7-phenylpyrano[2,3-d]pyrimidin-5-one?
7-phenylpyrano[2,3-d]pyrimidin-5-one has a molecular weight of 224.22 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylpyrano[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 123727420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).