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'}

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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).