3-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione

C10H11ClN4O2 — CID 103054462

IUPAC3-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2cnc(Cl)cn2)C1=O
InChIInChI=1S/C10H11ClN4O2/c1-10(2)8(16)15(9(17)14-10)5-6-3-13-7(11)4-12-6/h3-4H,5H2,1-2H3,(H,14,17)
InChIKeyKDEJGZBDFGUWSI-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.96
Rot. Bonds2

About 3-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 103054462) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 3-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID103054462
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name3-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2cnc(Cl)cn2)C1=O
InChIInChI=1S/C10H11ClN4O2/c1-10(2)8(16)15(9(17)14-10)5-6-3-13-7(11)4-12-6/h3-4H,5H2,1-2H3,(H,14,17)
InChIKeyKDEJGZBDFGUWSI-UHFFFAOYSA-N
XLogP0.96
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 103054462) is 3-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(Cc2cnc(Cl)cn2)C1=O.
What is the InChIKey of 3-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is KDEJGZBDFGUWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-10(2)8(16)15(9(17)14-10)5-6-3-13-7(11)4-12-6/h3-4H,5H2,1-2H3,(H,14,17).
What are the key properties of 3-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 254.68 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 103054462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).