1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione

C10H9N3O3 — CID 62308063

IUPAC1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione
SMILESCc1cccc(CN2C(=O)NC(=O)C2=O)n1
InChIInChI=1S/C10H9N3O3/c1-6-3-2-4-7(11-6)5-13-9(15)8(14)12-10(13)16/h2-4H,5H2,1H3,(H,12,14,16)
InChIKeyMAKJWUFWWBOBOB-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.03
Rot. Bonds2

About 1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione

1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione (PubChem CID 62308063) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione
PubChem CID62308063
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione
SMILESCc1cccc(CN2C(=O)NC(=O)C2=O)n1
InChIInChI=1S/C10H9N3O3/c1-6-3-2-4-7(11-6)5-13-9(15)8(14)12-10(13)16/h2-4H,5H2,1H3,(H,12,14,16)
InChIKeyMAKJWUFWWBOBOB-UHFFFAOYSA-N
XLogP-0.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione (CID 62308063) is 1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione is Cc1cccc(CN2C(=O)NC(=O)C2=O)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is MAKJWUFWWBOBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-6-3-2-4-7(11-6)5-13-9(15)8(14)12-10(13)16/h2-4H,5H2,1H3,(H,12,14,16).
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione?
1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 219.20 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 62308063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).