3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione

C12H16N4O2 — CID 79230999

IUPAC3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2cccc(N)n2)C1=O
InChIInChI=1S/C12H16N4O2/c1-2-4-9-11(17)16(12(18)15-9)7-8-5-3-6-10(13)14-8/h3,5-6,9H,2,4,7H2,1H3,(H2,13,14)(H,15,18)
InChIKeyZWYABKZQOKZMRI-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.88
Rot. Bonds4

About 3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione

3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 79230999) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione
PubChem CID79230999
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2cccc(N)n2)C1=O
InChIInChI=1S/C12H16N4O2/c1-2-4-9-11(17)16(12(18)15-9)7-8-5-3-6-10(13)14-8/h3,5-6,9H,2,4,7H2,1H3,(H2,13,14)(H,15,18)
InChIKeyZWYABKZQOKZMRI-UHFFFAOYSA-N
XLogP0.88
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
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-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione (CID 79230999) is 3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(Cc2cccc(N)n2)C1=O.
What is the InChIKey of 3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is ZWYABKZQOKZMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-2-4-9-11(17)16(12(18)15-9)7-8-5-3-6-10(13)14-8/h3,5-6,9H,2,4,7H2,1H3,(H2,13,14)(H,15,18).
What are the key properties of 3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione?
3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 248.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 79230999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).