1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone

C19H26N6O3 — CID 124819429

About 1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone

1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone (PubChem CID 124819429) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone
• PubChem CID: 124819429
• Molecular Formula: C19H26N6O3
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.21
• IUPAC Name: 1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone
• SMILES: CC(C)c1nc(CC(=O)N2CC[C@]3(COCc4cnc(N(C)C)nc43)C2)no1
• InChI: InChI=1S/C19H26N6O3/c1-12(2)17-21-14(23-28-17)7-15(26)25-6-5-19(10-25)11-27-9-13-8-20-18(24(3)4)22-16(13)19/h8,12H,5-7,9-11H2,1-4H3/t19-/m1/s1
• InChIKey: UFSRJVWIRUDYPP-LJQANCHMSA-N
• XLogP: 1.29
• TPSA: 97.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone?

The IUPAC name of 1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone (CID 124819429) is 1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone.

What is the SMILES notation for 1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone?

The canonical SMILES for 1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone is CC(C)c1nc(CC(=O)N2CC[C@]3(COCc4cnc(N(C)C)nc43)C2)no1.

What is the InChIKey of 1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone?

The InChIKey is UFSRJVWIRUDYPP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-12(2)17-21-14(23-28-17)7-15(26)25-6-5-19(10-25)11-27-9-13-8-20-18(24(3)4)22-16(13)19/h8,12H,5-7,9-11H2,1-4H3/t19-/m1/s1.

What are the key properties of 1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone?

1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone has a molecular weight of 386.46 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 124819429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).