[2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone

C₂₀H₂₄N₄O₃ — CID 154933185

About [2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone

[2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone (PubChem CID 154933185) has the molecular formula C₂₀H₂₄N₄O₃ and a molecular weight of 368.44 g/mol. Its IUPAC name is [2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone.

Molecular Properties

• Compound Name: [2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
• PubChem CID: 154933185
• Molecular Formula: C₂₀H₂₄N₄O₃
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.18
• IUPAC Name: [2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
• SMILES: CCOc1ccc2c(c1)CC(Nc1ncc(C(=O)N3CCCOC3)cn1)C2
• InChI: InChI=1S/C20H24N4O3/c1-2-27-18-5-4-14-8-17(9-15(14)10-18)23-20-21-11-16(12-22-20)19(25)24-6-3-7-26-13-24/h4-5,10-12,17H,2-3,6-9,13H2,1H3,(H,21,22,23)
• InChIKey: LSAZYEZEBIOVCO-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?

The IUPAC name of [2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone (CID 154933185) is [2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone.

What is the SMILES notation for [2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?

The canonical SMILES for [2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone is CCOc1ccc2c(c1)CC(Nc1ncc(C(=O)N3CCCOC3)cn1)C2.

What is the InChIKey of [2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?

The InChIKey is LSAZYEZEBIOVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-2-27-18-5-4-14-8-17(9-15(14)10-18)23-20-21-11-16(12-22-20)19(25)24-6-3-7-26-13-24/h4-5,10-12,17H,2-3,6-9,13H2,1H3,(H,21,22,23).

What are the key properties of [2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?

[2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone has a molecular weight of 368.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone is sourced from PubChem (CID 154933185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154933185 — identifiers, structure, computed properties (public domain)

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