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

C₂₁H₂₄N₄O₂ — CID 154933111

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

[2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone (PubChem CID 154933111) has the molecular formula C₂₁H₂₄N₄O₂ and a molecular weight of 364.45 g/mol. Its IUPAC name is [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone.

Molecular Properties

• Compound Name: [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
• PubChem CID: 154933111
• Molecular Formula: C₂₁H₂₄N₄O₂
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.19
• IUPAC Name: [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
• SMILES: O=C(c1cnc(NC2Cc3ccc(C4CC4)cc3C2)nc1)N1CCCOC1
• InChI: InChI=1S/C21H24N4O2/c26-20(25-6-1-7-27-13-25)18-11-22-21(23-12-18)24-19-9-16-5-4-15(14-2-3-14)8-17(16)10-19/h4-5,8,11-12,14,19H,1-3,6-7,9-10,13H2,(H,22,23,24)
• InChIKey: GCMUJTBBUADSKG-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone (CID 154933111) is [2-[(5-cyclopropyl-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-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?

The canonical SMILES for [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone is O=C(c1cnc(NC2Cc3ccc(C4CC4)cc3C2)nc1)N1CCCOC1.

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

The InChIKey is GCMUJTBBUADSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(25-6-1-7-27-13-25)18-11-22-21(23-12-18)24-19-9-16-5-4-15(14-2-3-14)8-17(16)10-19/h4-5,8,11-12,14,19H,1-3,6-7,9-10,13H2,(H,22,23,24).

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

[2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone is sourced from PubChem (CID 154933111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154933111 — identifiers, structure, computed properties (public domain)

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