5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-(pyridin-2-ylamino)ethoxy]pyrimidin-2-amine

C24H21F3N6O — CID 153393326

About 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-(pyridin-2-ylamino)ethoxy]pyrimidin-2-amine

5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-(pyridin-2-ylamino)ethoxy]pyrimidin-2-amine (PubChem CID 153393326) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-(pyridin-2-ylamino)ethoxy]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-(pyridin-2-ylamino)ethoxy]pyrimidin-2-amine
• PubChem CID: 153393326
• Molecular Formula: C24H21F3N6O
• Molecular Weight: 466.47 g/mol
• Exact Mass: 466.17
• IUPAC Name: 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-(pyridin-2-ylamino)ethoxy]pyrimidin-2-amine
• SMILES: Cc1cc(-c2c(OCCNc3ccccn3)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1
• InChI: InChI=1S/C24H21F3N6O/c1-14-12-16(13-18(31-14)22(26)27)20-21(15-5-7-17(25)8-6-15)32-24(28)33-23(20)34-11-10-30-19-4-2-3-9-29-19/h2-9,12-13,22H,10-11H2,1H3,(H,29,30)(H2,28,32,33)
• InChIKey: IQGAWOKSILIYJA-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 98.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.47
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-(pyridin-2-ylamino)ethoxy]pyrimidin-2-amine?

The IUPAC name of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-(pyridin-2-ylamino)ethoxy]pyrimidin-2-amine (CID 153393326) is 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-(pyridin-2-ylamino)ethoxy]pyrimidin-2-amine.

What is the SMILES notation for 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-(pyridin-2-ylamino)ethoxy]pyrimidin-2-amine?

The canonical SMILES for 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-(pyridin-2-ylamino)ethoxy]pyrimidin-2-amine is Cc1cc(-c2c(OCCNc3ccccn3)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1.

What is the InChIKey of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-(pyridin-2-ylamino)ethoxy]pyrimidin-2-amine?

The InChIKey is IQGAWOKSILIYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O/c1-14-12-16(13-18(31-14)22(26)27)20-21(15-5-7-17(25)8-6-15)32-24(28)33-23(20)34-11-10-30-19-4-2-3-9-29-19/h2-9,12-13,22H,10-11H2,1H3,(H,29,30)(H2,28,32,33).

What are the key properties of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-(pyridin-2-ylamino)ethoxy]pyrimidin-2-amine?

5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-(pyridin-2-ylamino)ethoxy]pyrimidin-2-amine has a molecular weight of 466.47 g/mol, XLogP of 5.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-(pyridin-2-ylamino)ethoxy]pyrimidin-2-amine is sourced from PubChem (CID 153393326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).