2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol

C₁₈H₁₅F₂N₃O — CID 122186119

About 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol

2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol (PubChem CID 122186119) has the molecular formula C₁₈H₁₅F₂N₃O and a molecular weight of 327.33 g/mol. Its IUPAC name is 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol.

Molecular Properties

• Compound Name: 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol
• PubChem CID: 122186119
• Molecular Formula: C₁₈H₁₅F₂N₃O
• Molecular Weight: 327.33 g/mol
• Exact Mass: 327.12
• IUPAC Name: 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol
• SMILES: CNc1ncc(-c2cc(F)c(O)c(F)c2)c(-c2ccc(C)cc2)n1
• InChI: InChI=1S/C18H15F2N3O/c1-10-3-5-11(6-4-10)16-13(9-22-18(21-2)23-16)12-7-14(19)17(24)15(20)8-12/h3-9,24H,1-2H3,(H,21,22,23)
• InChIKey: SZXVKXAUZJIMFQ-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 58.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.33
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol?

The IUPAC name of 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol (CID 122186119) is 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol.

What is the SMILES notation for 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol?

The canonical SMILES for 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol is CNc1ncc(-c2cc(F)c(O)c(F)c2)c(-c2ccc(C)cc2)n1.

What is the InChIKey of 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol?

The InChIKey is SZXVKXAUZJIMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-10-3-5-11(6-4-10)16-13(9-22-18(21-2)23-16)12-7-14(19)17(24)15(20)8-12/h3-9,24H,1-2H3,(H,21,22,23).

What are the key properties of 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol?

2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol has a molecular weight of 327.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol is sourced from PubChem (CID 122186119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122186119 — identifiers, structure, computed properties (public domain)

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