2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine

C25H23F3N6O4S — CID 172585590

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine (PubChem CID 172585590) has the molecular formula C25H23F3N6O4S and a molecular weight of 560.56 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
• PubChem CID: 172585590
• Molecular Formula: C25H23F3N6O4S
• Molecular Weight: 560.56 g/mol
• Exact Mass: 560.15
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
• SMILES: COc1ncnc(C2CC2)c1-c1nc(OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)cc(S(C)(=O)=O)n1
• InChI: InChI=1S/C25H23F3N6O4S/c1-34-11-17(25(26,27)28)31-23(34)16-6-4-14(5-7-16)12-38-18-10-19(39(3,35)36)33-22(32-18)20-21(15-8-9-15)29-13-30-24(20)37-2/h4-7,10-11,13,15H,8-9,12H2,1-3H3
• InChIKey: JQDHSNNOZXSOEK-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 121.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.56
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine (CID 172585590) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine.

What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine is COc1ncnc(C2CC2)c1-c1nc(OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)cc(S(C)(=O)=O)n1.

What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?

The InChIKey is JQDHSNNOZXSOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O4S/c1-34-11-17(25(26,27)28)31-23(34)16-6-4-14(5-7-16)12-38-18-10-19(39(3,35)36)33-22(32-18)20-21(15-8-9-15)29-13-30-24(20)37-2/h4-7,10-11,13,15H,8-9,12H2,1-3H3.

What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine has a molecular weight of 560.56 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine is sourced from PubChem (CID 172585590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).