3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione

C12H16N4O2 — CID 62893824

IUPAC3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2cccnc2CN)C1=O
InChIInChI=1S/C12H16N4O2/c1-12(2)10(17)16(11(18)15-12)7-8-4-3-5-14-9(8)6-13/h3-5H,6-7,13H2,1-2H3,(H,15,18)
InChIKeyIAKARBSWTAAWBR-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.37
Rot. Bonds3

About 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 62893824) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID62893824
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2cccnc2CN)C1=O
InChIInChI=1S/C12H16N4O2/c1-12(2)10(17)16(11(18)15-12)7-8-4-3-5-14-9(8)6-13/h3-5H,6-7,13H2,1-2H3,(H,15,18)
InChIKeyIAKARBSWTAAWBR-UHFFFAOYSA-N
XLogP0.37
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.37
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-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 62893824) is 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(Cc2cccnc2CN)C1=O.
What is the InChIKey of 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is IAKARBSWTAAWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-12(2)10(17)16(11(18)15-12)7-8-4-3-5-14-9(8)6-13/h3-5H,6-7,13H2,1-2H3,(H,15,18).
What are the key properties of 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 248.29 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 62893824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).