1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C24H25BrFN5O3S — CID 11592167

About 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 11592167) has the molecular formula C24H25BrFN5O3S and a molecular weight of 562.47 g/mol. Its IUPAC name is 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 11592167
• Molecular Formula: C24H25BrFN5O3S
• Molecular Weight: 562.47 g/mol
• Exact Mass: 561.08
• IUPAC Name: 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: CC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2cc(CCO)c(Cc3ccc(F)cc3)s2)n1
• InChI: InChI=1S/C24H25BrFN5O3S/c1-24(2)21(33)30-23(34)31(24)9-8-27-22-28-13-17(25)20(29-22)19-12-15(7-10-32)18(35-19)11-14-3-5-16(26)6-4-14/h3-6,12-13,32H,7-11H2,1-2H3,(H,27,28,29)(H,30,33,34)
• InChIKey: WGDQNKYDWSTBCO-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 107.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.47
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 11592167) is 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2cc(CCO)c(Cc3ccc(F)cc3)s2)n1.

What is the InChIKey of 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is WGDQNKYDWSTBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrFN5O3S/c1-24(2)21(33)30-23(34)31(24)9-8-27-22-28-13-17(25)20(29-22)19-12-15(7-10-32)18(35-19)11-14-3-5-16(26)6-4-14/h3-6,12-13,32H,7-11H2,1-2H3,(H,27,28,29)(H,30,33,34).

What are the key properties of 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?

1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 562.47 g/mol, XLogP of 3.97, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 11592167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).