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

C10H12N4O2 — CID 62465249

IUPAC3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESCNc1ncccc1CN1C(=O)CNC1=O
InChIInChI=1S/C10H12N4O2/c1-11-9-7(3-2-4-12-9)6-14-8(15)5-13-10(14)16/h2-4H,5-6H2,1H3,(H,11,12)(H,13,16)
InChIKeyCZOZNOQTGDSLRD-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.18
Rot. Bonds3

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

3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione (PubChem CID 62465249) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
PubChem CID62465249
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESCNc1ncccc1CN1C(=O)CNC1=O
InChIInChI=1S/C10H12N4O2/c1-11-9-7(3-2-4-12-9)6-14-8(15)5-13-10(14)16/h2-4H,5-6H2,1H3,(H,11,12)(H,13,16)
InChIKeyCZOZNOQTGDSLRD-UHFFFAOYSA-N
XLogP0.18
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.18
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-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione (CID 62465249) is 3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione is CNc1ncccc1CN1C(=O)CNC1=O.
What is the InChIKey of 3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
The InChIKey is CZOZNOQTGDSLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-11-9-7(3-2-4-12-9)6-14-8(15)5-13-10(14)16/h2-4H,5-6H2,1H3,(H,11,12)(H,13,16).
What are the key properties of 3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione has a molecular weight of 220.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 62465249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).