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

C15H19N3O3 — CID 99781612

IUPAC3-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2ccnc(OCC3CC3)c2)C1=O
InChIInChI=1S/C15H19N3O3/c1-15(2)13(19)18(14(20)17-15)8-11-5-6-16-12(7-11)21-9-10-3-4-10/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,20)
InChIKeyDJEUQGCZRFPIBR-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.70
Rot. Bonds5

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

3-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 99781612) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID99781612
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2ccnc(OCC3CC3)c2)C1=O
InChIInChI=1S/C15H19N3O3/c1-15(2)13(19)18(14(20)17-15)8-11-5-6-16-12(7-11)21-9-10-3-4-10/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,20)
InChIKeyDJEUQGCZRFPIBR-UHFFFAOYSA-N
XLogP1.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.70
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 3-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 99781612) is 3-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(Cc2ccnc(OCC3CC3)c2)C1=O.
What is the InChIKey of 3-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is DJEUQGCZRFPIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(2)13(19)18(14(20)17-15)8-11-5-6-16-12(7-11)21-9-10-3-4-10/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,20).
What are the key properties of 3-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 99781612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).