N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine

C17H14F4N6O — CID 139332365

About N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine

N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (PubChem CID 139332365) has the molecular formula C17H14F4N6O and a molecular weight of 394.33 g/mol. Its IUPAC name is N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
• PubChem CID: 139332365
• Molecular Formula: C17H14F4N6O
• Molecular Weight: 394.33 g/mol
• Exact Mass: 394.12
• IUPAC Name: N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
• SMILES: FC(F)Cc1ccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CC2)nc1
• InChI: InChI=1S/C17H14F4N6O/c18-12(19)5-9-1-2-11(22-6-9)17(3-4-17)25-16-23-7-10(8-24-16)14-26-27-15(28-14)13(20)21/h1-2,6-8,12-13H,3-5H2,(H,23,24,25)
• InChIKey: SVHZFXLUOFXGHZ-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 89.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.33
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?

The IUPAC name of N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (CID 139332365) is N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.

What is the SMILES notation for N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?

The canonical SMILES for N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is FC(F)Cc1ccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CC2)nc1.

What is the InChIKey of N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?

The InChIKey is SVHZFXLUOFXGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N6O/c18-12(19)5-9-1-2-11(22-6-9)17(3-4-17)25-16-23-7-10(8-24-16)14-26-27-15(28-14)13(20)21/h1-2,6-8,12-13H,3-5H2,(H,23,24,25).

What are the key properties of N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?

N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine has a molecular weight of 394.33 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 139332365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).