1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione

C11H14N4O2 — CID 55075196

IUPAC1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESCNc1ncccc1CN1C(=O)CN(C)C1=O
InChIInChI=1S/C11H14N4O2/c1-12-10-8(4-3-5-13-10)6-15-9(16)7-14(2)11(15)17/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyZXENAOPJQIPTMZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.52
Rot. Bonds3

About 1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione

1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione (PubChem CID 55075196) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
PubChem CID55075196
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESCNc1ncccc1CN1C(=O)CN(C)C1=O
InChIInChI=1S/C11H14N4O2/c1-12-10-8(4-3-5-13-10)6-15-9(16)7-14(2)11(15)17/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyZXENAOPJQIPTMZ-UHFFFAOYSA-N
XLogP0.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.52
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 1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione (CID 55075196) is 1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione is CNc1ncccc1CN1C(=O)CN(C)C1=O.
What is the InChIKey of 1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
The InChIKey is ZXENAOPJQIPTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-12-10-8(4-3-5-13-10)6-15-9(16)7-14(2)11(15)17/h3-5H,6-7H2,1-2H3,(H,12,13).
What are the key properties of 1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione has a molecular weight of 234.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55075196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).