5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine

C19H13F6N7O — CID 135320887

About 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine (PubChem CID 135320887) has the molecular formula C19H13F6N7O and a molecular weight of 469.35 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine
• PubChem CID: 135320887
• Molecular Formula: C19H13F6N7O
• Molecular Weight: 469.35 g/mol
• Exact Mass: 469.11
• IUPAC Name: 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine
• SMILES: Fc1ccc(C(Cn2cnc(C(F)(F)F)c2)Nc2ncc(-c3nnc(C(F)F)o3)cn2)cc1
• InChI: InChI=1S/C19H13F6N7O/c20-12-3-1-10(2-4-12)13(7-32-8-14(28-9-32)19(23,24)25)29-18-26-5-11(6-27-18)16-30-31-17(33-16)15(21)22/h1-6,8-9,13,15H,7H2,(H,26,27,29)
• InChIKey: MMGMBALHLQARAH-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 94.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.35
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine?

The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine (CID 135320887) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine.

What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine?

The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine is Fc1ccc(C(Cn2cnc(C(F)(F)F)c2)Nc2ncc(-c3nnc(C(F)F)o3)cn2)cc1.

What is the InChIKey of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine?

The InChIKey is MMGMBALHLQARAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N7O/c20-12-3-1-10(2-4-12)13(7-32-8-14(28-9-32)19(23,24)25)29-18-26-5-11(6-27-18)16-30-31-17(33-16)15(21)22/h1-6,8-9,13,15H,7H2,(H,26,27,29).

What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine?

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine has a molecular weight of 469.35 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 135320887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).