5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine

C23H25F2N5O2 — CID 122605373

About 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine

5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 122605373) has the molecular formula C23H25F2N5O2 and a molecular weight of 441.48 g/mol. Its IUPAC name is 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine
• PubChem CID: 122605373
• Molecular Formula: C23H25F2N5O2
• Molecular Weight: 441.48 g/mol
• Exact Mass: 441.20
• IUPAC Name: 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine
• SMILES: COc1cc(C)c(F)c(COc2cnc(Nc3ccc(C4CCNCC4)nc3)nc2)c1F
• InChI: InChI=1S/C23H25F2N5O2/c1-14-9-20(31-2)22(25)18(21(14)24)13-32-17-11-28-23(29-12-17)30-16-3-4-19(27-10-16)15-5-7-26-8-6-15/h3-4,9-12,15,26H,5-8,13H2,1-2H3,(H,28,29,30)
• InChIKey: SVEHHAOADNAGTL-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 81.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.48
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine?

The IUPAC name of 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine (CID 122605373) is 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine.

What is the SMILES notation for 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine?

The canonical SMILES for 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine is COc1cc(C)c(F)c(COc2cnc(Nc3ccc(C4CCNCC4)nc3)nc2)c1F.

What is the InChIKey of 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine?

The InChIKey is SVEHHAOADNAGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O2/c1-14-9-20(31-2)22(25)18(21(14)24)13-32-17-11-28-23(29-12-17)30-16-3-4-19(27-10-16)15-5-7-26-8-6-15/h3-4,9-12,15,26H,5-8,13H2,1-2H3,(H,28,29,30).

What are the key properties of 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine?

5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 441.48 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 122605373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).