1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C22H24N6O — CID 155491358

About 1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 155491358) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

• Compound Name: 1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
• PubChem CID: 155491358
• Molecular Formula: C22H24N6O
• Molecular Weight: 388.48 g/mol
• Exact Mass: 388.20
• IUPAC Name: 1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
• SMILES: CNc1nccnc1N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=O)CC1
• InChI: InChI=1S/C22H24N6O/c1-23-19-20(25-12-11-24-19)28-13-9-22(10-14-28)8-7-16-17(22)26-18(27-21(16)29)15-5-3-2-4-6-15/h2-6,11-12H,7-10,13-14H2,1H3,(H,23,24)(H,26,27,29)
• InChIKey: TYYDHISWWAQXRR-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.48
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?

The IUPAC name of 1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 155491358) is 1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

What is the SMILES notation for 1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?

The canonical SMILES for 1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is CNc1nccnc1N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=O)CC1.

What is the InChIKey of 1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?

The InChIKey is TYYDHISWWAQXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-23-19-20(25-12-11-24-19)28-13-9-22(10-14-28)8-7-16-17(22)26-18(27-21(16)29)15-5-3-2-4-6-15/h2-6,11-12H,7-10,13-14H2,1H3,(H,23,24)(H,26,27,29).

What are the key properties of 1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?

1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 388.48 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 155491358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).