2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide

C24H28FN7O2 — CID 59000717

About 2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide

2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide (PubChem CID 59000717) has the molecular formula C24H28FN7O2 and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide
• PubChem CID: 59000717
• Molecular Formula: C24H28FN7O2
• Molecular Weight: 465.53 g/mol
• Exact Mass: 465.23
• IUPAC Name: 2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide
• SMILES: CN1CCN(CCOc2ncc(-c3ccc(CC(=O)NCc4ncccn4)cc3)c(F)n2)CC1
• InChI: InChI=1S/C24H28FN7O2/c1-31-9-11-32(12-10-31)13-14-34-24-29-16-20(23(25)30-24)19-5-3-18(4-6-19)15-22(33)28-17-21-26-7-2-8-27-21/h2-8,16H,9-15,17H2,1H3,(H,28,33)
• InChIKey: OMQABFAIKTXAMC-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 96.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.53
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide?

The IUPAC name of 2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide (CID 59000717) is 2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide?

The canonical SMILES for 2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide is CN1CCN(CCOc2ncc(-c3ccc(CC(=O)NCc4ncccn4)cc3)c(F)n2)CC1.

What is the InChIKey of 2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide?

The InChIKey is OMQABFAIKTXAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O2/c1-31-9-11-32(12-10-31)13-14-34-24-29-16-20(23(25)30-24)19-5-3-18(4-6-19)15-22(33)28-17-21-26-7-2-8-27-21/h2-8,16H,9-15,17H2,1H3,(H,28,33).

What are the key properties of 2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide?

2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide has a molecular weight of 465.53 g/mol, XLogP of 1.56, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide is sourced from PubChem (CID 59000717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).