2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one

C₁₄H₁₉N₃O₃ — CID 136973332

About 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one (PubChem CID 136973332) has the molecular formula C₁₄H₁₉N₃O₃ and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
• PubChem CID: 136973332
• Molecular Formula: C₁₄H₁₉N₃O₃
• Molecular Weight: 277.32 g/mol
• Exact Mass: 277.14
• IUPAC Name: 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
• SMILES: O=c1cc(N2CCC3(CC2)OCCO3)nc(C2CC2)[nH]1
• InChI: InChI=1S/C14H19N3O3/c18-12-9-11(15-13(16-12)10-1-2-10)17-5-3-14(4-6-17)19-7-8-20-14/h9-10H,1-8H2,(H,15,16,18)
• InChIKey: OWELPSJNIONFOZ-UHFFFAOYSA-N
• XLogP: 0.99
• TPSA: 67.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.32
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?

The IUPAC name of 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one (CID 136973332) is 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one.

What is the SMILES notation for 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?

The canonical SMILES for 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one is O=c1cc(N2CCC3(CC2)OCCO3)nc(C2CC2)[nH]1.

What is the InChIKey of 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?

The InChIKey is OWELPSJNIONFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12-9-11(15-13(16-12)10-1-2-10)17-5-3-14(4-6-17)19-7-8-20-14/h9-10H,1-8H2,(H,15,16,18).

What are the key properties of 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?

2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one has a molecular weight of 277.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 136973332 — identifiers, structure, computed properties (public domain)

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