5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine

C22H19F3N6O2S — CID 153393514

About 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine

5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine (PubChem CID 153393514) has the molecular formula C22H19F3N6O2S and a molecular weight of 488.50 g/mol. Its IUPAC name is 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine
• PubChem CID: 153393514
• Molecular Formula: C22H19F3N6O2S
• Molecular Weight: 488.50 g/mol
• Exact Mass: 488.12
• IUPAC Name: 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine
• SMILES: Cc1cc(-c2c(OCc3nccn3S(C)=O)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1
• InChI: InChI=1S/C22H19F3N6O2S/c1-12-9-14(10-16(28-12)20(24)25)18-19(13-3-5-15(23)6-4-13)29-22(26)30-21(18)33-11-17-27-7-8-31(17)34(2)32/h3-10,20H,11H2,1-2H3,(H2,26,29,30)
• InChIKey: SYKQVDVJSRJJCC-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 108.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.50
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine?

The IUPAC name of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine (CID 153393514) is 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine.

What is the SMILES notation for 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine?

The canonical SMILES for 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine is Cc1cc(-c2c(OCc3nccn3S(C)=O)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-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine?

The InChIKey is SYKQVDVJSRJJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2S/c1-12-9-14(10-16(28-12)20(24)25)18-19(13-3-5-15(23)6-4-13)29-22(26)30-21(18)33-11-17-27-7-8-31(17)34(2)32/h3-10,20H,11H2,1-2H3,(H2,26,29,30).

What are the key properties of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine?

5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine has a molecular weight of 488.50 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine is sourced from PubChem (CID 153393514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).