2-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C18H21F3N6O — CID 155974711

About 2-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 155974711) has the molecular formula C18H21F3N6O and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
• PubChem CID: 155974711
• Molecular Formula: C18H21F3N6O
• Molecular Weight: 394.40 g/mol
• Exact Mass: 394.17
• IUPAC Name: 2-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
• SMILES: Cc1nc2c(c(N3CC4CN(Cc5nnc(C(F)(F)F)o5)CC4C3)n1)CCC2
• InChI: InChI=1S/C18H21F3N6O/c1-10-22-14-4-2-3-13(14)16(23-10)27-7-11-5-26(6-12(11)8-27)9-15-24-25-17(28-15)18(19,20)21/h11-12H,2-9H2,1H3
• InChIKey: RIXVJIPTJOBODU-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 71.18 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.40
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?

The IUPAC name of 2-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 155974711) is 2-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

What is the SMILES notation for 2-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?

The canonical SMILES for 2-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is Cc1nc2c(c(N3CC4CN(Cc5nnc(C(F)(F)F)o5)CC4C3)n1)CCC2.

What is the InChIKey of 2-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?

The InChIKey is RIXVJIPTJOBODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O/c1-10-22-14-4-2-3-13(14)16(23-10)27-7-11-5-26(6-12(11)8-27)9-15-24-25-17(28-15)18(19,20)21/h11-12H,2-9H2,1H3.

What are the key properties of 2-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?

2-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 394.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 155974711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).