1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C20H26N6O4 — CID 155506750

About 1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 155506750) has the molecular formula C20H26N6O4 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

• Compound Name: 1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
• PubChem CID: 155506750
• Molecular Formula: C20H26N6O4
• Molecular Weight: 414.47 g/mol
• Exact Mass: 414.20
• IUPAC Name: 1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
• SMILES: NCc1nc(C(=O)N2CCC3(CCc4c3nc(N3CCOCC3)[nH]c4=O)CC2)co1
• InChI: InChI=1S/C20H26N6O4/c21-11-15-22-14(12-30-15)18(28)25-5-3-20(4-6-25)2-1-13-16(20)23-19(24-17(13)27)26-7-9-29-10-8-26/h12H,1-11,21H2,(H,23,24,27)
• InChIKey: SEJUEQBHZQWFPO-UHFFFAOYSA-N
• XLogP: 0.17
• TPSA: 130.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.47
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?

The IUPAC name of 1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 155506750) is 1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

What is the SMILES notation for 1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?

The canonical SMILES for 1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is NCc1nc(C(=O)N2CCC3(CCc4c3nc(N3CCOCC3)[nH]c4=O)CC2)co1.

What is the InChIKey of 1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?

The InChIKey is SEJUEQBHZQWFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O4/c21-11-15-22-14(12-30-15)18(28)25-5-3-20(4-6-25)2-1-13-16(20)23-19(24-17(13)27)26-7-9-29-10-8-26/h12H,1-11,21H2,(H,23,24,27).

What are the key properties of 1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?

1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 414.47 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 155506750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).