2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione

C13H9N3O3 — CID 135463212

IUPAC2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione
SMILESCc1cc(=O)[nH]c(N2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C13H9N3O3/c1-7-6-10(17)15-13(14-7)16-11(18)8-4-2-3-5-9(8)12(16)19/h2-6H,1H3,(H,14,15,17)
InChIKeyRGUNMHIQWJLZMO-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.88
Rot. Bonds1

About 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione

2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione (PubChem CID 135463212) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione
PubChem CID135463212
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione
SMILESCc1cc(=O)[nH]c(N2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C13H9N3O3/c1-7-6-10(17)15-13(14-7)16-11(18)8-4-2-3-5-9(8)12(16)19/h2-6H,1H3,(H,14,15,17)
InChIKeyRGUNMHIQWJLZMO-UHFFFAOYSA-N
XLogP0.88
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137242206
2-[(4E)-4-(furan-2-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137242198
2-[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137205917
2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135465183
2-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]isoindole-1,3-dione
CID 168516521
2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione
CID 555038
2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one
CID 137224250
2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135536917
2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]isoindole-1,3-dione
CID 168516523
2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752917
4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
CID 135592196
2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 135629608

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione (CID 135463212) is 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione is Cc1cc(=O)[nH]c(N2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione?
The InChIKey is RGUNMHIQWJLZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c1-7-6-10(17)15-13(14-7)16-11(18)8-4-2-3-5-9(8)12(16)19/h2-6H,1H3,(H,14,15,17).
What are the key properties of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione?
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione has a molecular weight of 255.23 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 135463212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).