5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

C18H27N5O2 — CID 86773963

About 5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 86773963) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
• PubChem CID: 86773963
• Molecular Formula: C18H27N5O2
• Molecular Weight: 345.45 g/mol
• Exact Mass: 345.22
• IUPAC Name: 5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
• SMILES: Cc1cccc(NCC2CCN(CCN3C(=O)NC(C)(C)C3=O)C2)n1
• InChI: InChI=1S/C18H27N5O2/c1-13-5-4-6-15(20-13)19-11-14-7-8-22(12-14)9-10-23-16(24)18(2,3)21-17(23)25/h4-6,14H,7-12H2,1-3H3,(H,19,20)(H,21,25)
• InChIKey: BWESNIGRAAOEBH-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 77.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.45
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?

The IUPAC name of 5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 86773963) is 5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?

The canonical SMILES for 5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is Cc1cccc(NCC2CCN(CCN3C(=O)NC(C)(C)C3=O)C2)n1.

What is the InChIKey of 5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?

The InChIKey is BWESNIGRAAOEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13-5-4-6-15(20-13)19-11-14-7-8-22(12-14)9-10-23-16(24)18(2,3)21-17(23)25/h4-6,14H,7-12H2,1-3H3,(H,19,20)(H,21,25).

What are the key properties of 5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?

5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 345.45 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 86773963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).