N-[1-(2-methylphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine

C18H16F3N5O — CID 129032760

About N-[1-(2-methylphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine

N-[1-(2-methylphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (PubChem CID 129032760) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[1-(2-methylphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
• PubChem CID: 129032760
• Molecular Formula: C18H16F3N5O
• Molecular Weight: 375.35 g/mol
• Exact Mass: 375.13
• IUPAC Name: N-[1-(2-methylphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
• SMILES: Cc1ccccc1C1(Nc2ncc(-c3nnc(C(F)(F)F)o3)cn2)CCC1
• InChI: InChI=1S/C18H16F3N5O/c1-11-5-2-3-6-13(11)17(7-4-8-17)24-16-22-9-12(10-23-16)14-25-26-15(27-14)18(19,20)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,22,23,24)
• InChIKey: DYDSYHHBSABPIC-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 76.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.35
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-(2-methylphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (CID 129032760) is N-[1-(2-methylphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.

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

The canonical SMILES for N-[1-(2-methylphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is Cc1ccccc1C1(Nc2ncc(-c3nnc(C(F)(F)F)o3)cn2)CCC1.

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

The InChIKey is DYDSYHHBSABPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c1-11-5-2-3-6-13(11)17(7-4-8-17)24-16-22-9-12(10-23-16)14-25-26-15(27-14)18(19,20)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,22,23,24).

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

N-[1-(2-methylphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine has a molecular weight of 375.35 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-methylphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 129032760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).