6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

C18H17F2N5O5 — CID 24584907

About 6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 24584907) has the molecular formula C18H17F2N5O5 and a molecular weight of 421.36 g/mol. Its IUPAC name is 6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
• PubChem CID: 24584907
• Molecular Formula: C18H17F2N5O5
• Molecular Weight: 421.36 g/mol
• Exact Mass: 421.12
• IUPAC Name: 6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
• SMILES: Cn1c(N)c(C(=O)CN2C(=O)NC(C)(c3cc(F)ccc3F)C2=O)c(=O)n(C)c1=O
• InChI: InChI=1S/C18H17F2N5O5/c1-18(9-6-8(19)4-5-10(9)20)15(28)25(16(29)22-18)7-11(26)12-13(21)23(2)17(30)24(3)14(12)27/h4-6H,7,21H2,1-3H3,(H,22,29)
• InChIKey: RUYMHJVVBQYJJQ-UHFFFAOYSA-N
• XLogP: -0.41
• TPSA: 136.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.36
LogP ≤ 5	-0.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?

The IUPAC name of 6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 24584907) is 6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.

What is the SMILES notation for 6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?

The canonical SMILES for 6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)CN2C(=O)NC(C)(c3cc(F)ccc3F)C2=O)c(=O)n(C)c1=O.

What is the InChIKey of 6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?

The InChIKey is RUYMHJVVBQYJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O5/c1-18(9-6-8(19)4-5-10(9)20)15(28)25(16(29)22-18)7-11(26)12-13(21)23(2)17(30)24(3)14(12)27/h4-6H,7,21H2,1-3H3,(H,22,29).

What are the key properties of 6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?

6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 421.36 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 24584907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).