1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione

C12H12N4O3 — CID 14230004

IUPAC1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione
SMILESCN1C(=O)N(C)C2(NC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C12H12N4O3/c1-15-8-6-4-3-5-7(8)12(16(2)11(15)19)9(17)13-10(18)14-12/h3-6H,1-2H3,(H2,13,14,17,18)
InChIKeyYEKRGKKJIKMANM-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.18
Rot. Bonds

About 1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione

1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione (PubChem CID 14230004) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione.

Molecular Properties

Compound Name1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione
PubChem CID14230004
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione
SMILESCN1C(=O)N(C)C2(NC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C12H12N4O3/c1-15-8-6-4-3-5-7(8)12(16(2)11(15)19)9(17)13-10(18)14-12/h3-6H,1-2H3,(H2,13,14,17,18)
InChIKeyYEKRGKKJIKMANM-UHFFFAOYSA-N
XLogP0.18
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione?
The IUPAC name of 1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione (CID 14230004) is 1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione.
What is the SMILES notation for 1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione?
The canonical SMILES for 1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione is CN1C(=O)N(C)C2(NC(=O)NC2=O)c2ccccc21.
What is the InChIKey of 1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione?
The InChIKey is YEKRGKKJIKMANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-15-8-6-4-3-5-7(8)12(16(2)11(15)19)9(17)13-10(18)14-12/h3-6H,1-2H3,(H2,13,14,17,18).
What are the key properties of 1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione?
1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione has a molecular weight of 260.25 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3'-dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione is sourced from PubChem (CID 14230004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).