3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione

C20H24N6O5S — CID 24895089

IUPAC3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione
SMILESCOCc1nccc(N2CCN(S(=O)(=O)N3CC(=O)N(Cc4ccccc4)C3=O)CC2)n1
InChIInChI=1S/C20H24N6O5S/c1-31-15-17-21-8-7-18(22-17)23-9-11-24(12-10-23)32(29,30)26-14-19(27)25(20(26)28)13-16-5-3-2-4-6-16/h2-8H,9-15H2,1H3
InChIKeyJSINWTUGGVIGPW-UHFFFAOYSA-N
MW460.52 g/mol
LogP0.45
Rot. Bonds7

About 3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione

3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione (PubChem CID 24895089) has the molecular formula C20H24N6O5S and a molecular weight of 460.52 g/mol. Its IUPAC name is 3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione
PubChem CID24895089
Molecular FormulaC20H24N6O5S
Molecular Weight460.52 g/mol
Exact Mass460.15
IUPAC Name3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione
SMILESCOCc1nccc(N2CCN(S(=O)(=O)N3CC(=O)N(Cc4ccccc4)C3=O)CC2)n1
InChIInChI=1S/C20H24N6O5S/c1-31-15-17-21-8-7-18(22-17)23-9-11-24(12-10-23)32(29,30)26-14-19(27)25(20(26)28)13-16-5-3-2-4-6-16/h2-8H,9-15H2,1H3
InChIKeyJSINWTUGGVIGPW-UHFFFAOYSA-N
XLogP0.45
TPSA116.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-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

3-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 11090058
4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one
CID 138023007
2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 10869888
3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
CID 103935477
4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine
CID 136568988
2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 136521532
4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine
CID 141454585
1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one
CID 133499793
4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine
CID 112896283
2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
CID 163350559
1-benzyl-3-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110565731
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione (CID 24895089) is 3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione is COCc1nccc(N2CCN(S(=O)(=O)N3CC(=O)N(Cc4ccccc4)C3=O)CC2)n1.
What is the InChIKey of 3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione?
The InChIKey is JSINWTUGGVIGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O5S/c1-31-15-17-21-8-7-18(22-17)23-9-11-24(12-10-23)32(29,30)26-14-19(27)25(20(26)28)13-16-5-3-2-4-6-16/h2-8H,9-15H2,1H3.
What are the key properties of 3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione?
3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione has a molecular weight of 460.52 g/mol, XLogP of 0.45, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione is sourced from PubChem (CID 24895089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).