3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione

C12H16N4O3 — CID 43259753

IUPAC3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCn2cc(N)ccc2=O)C1=O
InChIInChI=1S/C12H16N4O3/c1-12(2)10(18)16(11(19)14-12)6-5-15-7-8(13)3-4-9(15)17/h3-4,7H,5-6,13H2,1-2H3,(H,14,19)
InChIKeyGMHFKKXINQYOOY-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.24
Rot. Bonds3

About 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 43259753) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID43259753
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCn2cc(N)ccc2=O)C1=O
InChIInChI=1S/C12H16N4O3/c1-12(2)10(18)16(11(19)14-12)6-5-15-7-8(13)3-4-9(15)17/h3-4,7H,5-6,13H2,1-2H3,(H,14,19)
InChIKeyGMHFKKXINQYOOY-UHFFFAOYSA-N
XLogP-0.24
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 43259753) is 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCn2cc(N)ccc2=O)C1=O.
What is the InChIKey of 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is GMHFKKXINQYOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-12(2)10(18)16(11(19)14-12)6-5-15-7-8(13)3-4-9(15)17/h3-4,7H,5-6,13H2,1-2H3,(H,14,19).
What are the key properties of 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 264.28 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 43259753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).