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

C26H25F3N6O3 — CID 172586088

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

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrimidine (PubChem CID 172586088) has the molecular formula C26H25F3N6O3 and a molecular weight of 526.52 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrimidine.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrimidine
• PubChem CID: 172586088
• Molecular Formula: C26H25F3N6O3
• Molecular Weight: 526.52 g/mol
• Exact Mass: 526.19
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrimidine
• SMILES: COc1cnc(-c2c(OC)ncnc2C2CC2)nc1O[C@@H](C)c1ccc(-c2nc(C(F)(F)F)cn2C)cc1
• InChI: InChI=1S/C26H25F3N6O3/c1-14(15-5-9-17(10-6-15)23-33-19(12-35(23)2)26(27,28)29)38-24-18(36-3)11-30-22(34-24)20-21(16-7-8-16)31-13-32-25(20)37-4/h5-6,9-14,16H,7-8H2,1-4H3/t14-/m0/s1
• InChIKey: YZMXVVDXPFHKTJ-AWEZNQCLSA-N
• XLogP: 5.39
• TPSA: 97.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.52
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrimidine (CID 172586088) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrimidine.

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

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrimidine is COc1cnc(-c2c(OC)ncnc2C2CC2)nc1O[C@@H](C)c1ccc(-c2nc(C(F)(F)F)cn2C)cc1.

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

The InChIKey is YZMXVVDXPFHKTJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C26H25F3N6O3/c1-14(15-5-9-17(10-6-15)23-33-19(12-35(23)2)26(27,28)29)38-24-18(36-3)11-30-22(34-24)20-21(16-7-8-16)31-13-32-25(20)37-4/h5-6,9-14,16H,7-8H2,1-4H3/t14-/m0/s1.

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

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrimidine has a molecular weight of 526.52 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrimidine is sourced from PubChem (CID 172586088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).