2-pyrimidin-2-ylisoindole-1,3-dione

C12H7N3O2 — CID 660266

IUPAC2-pyrimidin-2-ylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ncccn1
InChIInChI=1S/C12H7N3O2/c16-10-8-4-1-2-5-9(8)11(17)15(10)12-13-6-3-7-14-12/h1-7H
InChIKeyBEGXVUFOJCGFMW-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.28
Rot. Bonds1

About 2-pyrimidin-2-ylisoindole-1,3-dione

2-pyrimidin-2-ylisoindole-1,3-dione (PubChem CID 660266) has the molecular formula C12H7N3O2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-pyrimidin-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name2-pyrimidin-2-ylisoindole-1,3-dione
PubChem CID660266
Molecular FormulaC12H7N3O2
Molecular Weight225.21 g/mol
Exact Mass225.05
IUPAC Name2-pyrimidin-2-ylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ncccn1
InChIInChI=1S/C12H7N3O2/c16-10-8-4-1-2-5-9(8)11(17)15(10)12-13-6-3-7-14-12/h1-7H
InChIKeyBEGXVUFOJCGFMW-UHFFFAOYSA-N
XLogP1.28
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylisoindole-1,3-dione?
The IUPAC name of 2-pyrimidin-2-ylisoindole-1,3-dione (CID 660266) is 2-pyrimidin-2-ylisoindole-1,3-dione.
What is the SMILES notation for 2-pyrimidin-2-ylisoindole-1,3-dione?
The canonical SMILES for 2-pyrimidin-2-ylisoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ncccn1.
What is the InChIKey of 2-pyrimidin-2-ylisoindole-1,3-dione?
The InChIKey is BEGXVUFOJCGFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O2/c16-10-8-4-1-2-5-9(8)11(17)15(10)12-13-6-3-7-14-12/h1-7H.
What are the key properties of 2-pyrimidin-2-ylisoindole-1,3-dione?
2-pyrimidin-2-ylisoindole-1,3-dione has a molecular weight of 225.21 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylisoindole-1,3-dione is sourced from PubChem (CID 660266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).