5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine

C28H32F4N6O2Si — CID 160828403

About 5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine

5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine (PubChem CID 160828403) has the molecular formula C28H32F4N6O2Si and a molecular weight of 588.68 g/mol. Its IUPAC name is 5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine
• PubChem CID: 160828403
• Molecular Formula: C28H32F4N6O2Si
• Molecular Weight: 588.68 g/mol
• Exact Mass: 588.23
• IUPAC Name: 5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine
• SMILES: CC[Si](CC)(CC)Nc1nc(OCc2ccc(F)cc2)ncc1F.Nc1nc(OCc2ccc(F)cc2)ncc1F
• InChI: InChI=1S/C17H23F2N3OSi.C11H9F2N3O/c1-4-24(5-2,6-3)22-16-15(19)11-20-17(21-16)23-12-13-7-9-14(18)10-8-13;12-8-3-1-7(2-4-8)6-17-11-15-5-9(13)10(14)16-11/h7-11H,4-6,12H2,1-3H3,(H,20,21,22);1-5H,6H2,(H2,14,15,16)
• InChIKey: SGMCTNWSVYVVQA-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 108.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.68
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine?

The IUPAC name of 5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine (CID 160828403) is 5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine.

What is the SMILES notation for 5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine?

The canonical SMILES for 5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine is CC[Si](CC)(CC)Nc1nc(OCc2ccc(F)cc2)ncc1F.Nc1nc(OCc2ccc(F)cc2)ncc1F.

What is the InChIKey of 5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine?

The InChIKey is SGMCTNWSVYVVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3OSi.C11H9F2N3O/c1-4-24(5-2,6-3)22-16-15(19)11-20-17(21-16)23-12-13-7-9-14(18)10-8-13;12-8-3-1-7(2-4-8)6-17-11-15-5-9(13)10(14)16-11/h7-11H,4-6,12H2,1-3H3,(H,20,21,22);1-5H,6H2,(H2,14,15,16).

What are the key properties of 5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine?

5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine has a molecular weight of 588.68 g/mol, XLogP of 6.67, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine is sourced from PubChem (CID 160828403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).