5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(2-fluoro-3-propan-2-ylphenyl)methoxy]pyrimidin-2-amine

C27H24F4N4O — CID 162480859

About 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(2-fluoro-3-propan-2-ylphenyl)methoxy]pyrimidin-2-amine

5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(2-fluoro-3-propan-2-ylphenyl)methoxy]pyrimidin-2-amine (PubChem CID 162480859) has the molecular formula C27H24F4N4O and a molecular weight of 496.51 g/mol. Its IUPAC name is 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(2-fluoro-3-propan-2-ylphenyl)methoxy]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(2-fluoro-3-propan-2-ylphenyl)methoxy]pyrimidin-2-amine
• PubChem CID: 162480859
• Molecular Formula: C27H24F4N4O
• Molecular Weight: 496.51 g/mol
• Exact Mass: 496.19
• IUPAC Name: 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(2-fluoro-3-propan-2-ylphenyl)methoxy]pyrimidin-2-amine
• SMILES: Cc1cc(-c2c(OCc3cccc(C(C)C)c3F)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1
• InChI: InChI=1S/C27H24F4N4O/c1-14(2)20-6-4-5-17(23(20)29)13-36-26-22(18-11-15(3)33-21(12-18)25(30)31)24(34-27(32)35-26)16-7-9-19(28)10-8-16/h4-12,14,25H,13H2,1-3H3,(H2,32,34,35)
• InChIKey: IQNSZUIXTKXCAG-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 73.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.51
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(2-fluoro-3-propan-2-ylphenyl)methoxy]pyrimidin-2-amine?

The IUPAC name of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(2-fluoro-3-propan-2-ylphenyl)methoxy]pyrimidin-2-amine (CID 162480859) is 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(2-fluoro-3-propan-2-ylphenyl)methoxy]pyrimidin-2-amine.

What is the SMILES notation for 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(2-fluoro-3-propan-2-ylphenyl)methoxy]pyrimidin-2-amine?

The canonical SMILES for 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(2-fluoro-3-propan-2-ylphenyl)methoxy]pyrimidin-2-amine is Cc1cc(-c2c(OCc3cccc(C(C)C)c3F)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-fluoro-3-propan-2-ylphenyl)methoxy]pyrimidin-2-amine?

The InChIKey is IQNSZUIXTKXCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F4N4O/c1-14(2)20-6-4-5-17(23(20)29)13-36-26-22(18-11-15(3)33-21(12-18)25(30)31)24(34-27(32)35-26)16-7-9-19(28)10-8-16/h4-12,14,25H,13H2,1-3H3,(H2,32,34,35).

What are the key properties of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(2-fluoro-3-propan-2-ylphenyl)methoxy]pyrimidin-2-amine?

5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(2-fluoro-3-propan-2-ylphenyl)methoxy]pyrimidin-2-amine has a molecular weight of 496.51 g/mol, XLogP of 7.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(2-fluoro-3-propan-2-ylphenyl)methoxy]pyrimidin-2-amine is sourced from PubChem (CID 162480859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).