5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-ethylpiperidin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine

C24H28F2N6O — CID 129032848

About 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-ethylpiperidin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-ethylpiperidin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine (PubChem CID 129032848) has the molecular formula C24H28F2N6O and a molecular weight of 454.53 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-ethylpiperidin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-ethylpiperidin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine
• PubChem CID: 129032848
• Molecular Formula: C24H28F2N6O
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.23
• IUPAC Name: 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-ethylpiperidin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine
• SMILES: CCN1CCC(c2ccc(C3(Nc4ncc(-c5nnc(C(F)F)o5)cn4)CCC3)cc2)CC1
• InChI: InChI=1S/C24H28F2N6O/c1-2-32-12-8-17(9-13-32)16-4-6-19(7-5-16)24(10-3-11-24)29-23-27-14-18(15-28-23)21-30-31-22(33-21)20(25)26/h4-7,14-15,17,20H,2-3,8-13H2,1H3,(H,27,28,29)
• InChIKey: PCZZOFAJXJOFNY-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 79.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-ethylpiperidin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine (CID 129032848) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-ethylpiperidin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine.

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

The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-ethylpiperidin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine is CCN1CCC(c2ccc(C3(Nc4ncc(-c5nnc(C(F)F)o5)cn4)CCC3)cc2)CC1.

What is the InChIKey of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-ethylpiperidin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine?

The InChIKey is PCZZOFAJXJOFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6O/c1-2-32-12-8-17(9-13-32)16-4-6-19(7-5-16)24(10-3-11-24)29-23-27-14-18(15-28-23)21-30-31-22(33-21)20(25)26/h4-7,14-15,17,20H,2-3,8-13H2,1H3,(H,27,28,29).

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

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-ethylpiperidin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine has a molecular weight of 454.53 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-ethylpiperidin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine is sourced from PubChem (CID 129032848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).