[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone

C18H22N4O3 — CID 133142484

About [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone

[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 133142484) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

• Compound Name: [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone
• PubChem CID: 133142484
• Molecular Formula: C18H22N4O3
• Molecular Weight: 342.40 g/mol
• Exact Mass: 342.17
• IUPAC Name: [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone
• SMILES: Cc1ccnc(OC2CCOC3(C2)CN(C(=O)c2cccn2C)C3)n1
• InChI: InChI=1S/C18H22N4O3/c1-13-5-7-19-17(20-13)25-14-6-9-24-18(10-14)11-22(12-18)16(23)15-4-3-8-21(15)2/h3-5,7-8,14H,6,9-12H2,1-2H3
• InChIKey: MRLIDGPNPPFOED-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 69.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.40
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone?

The IUPAC name of [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone (CID 133142484) is [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone.

What is the SMILES notation for [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone?

The canonical SMILES for [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone is Cc1ccnc(OC2CCOC3(C2)CN(C(=O)c2cccn2C)C3)n1.

What is the InChIKey of [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone?

The InChIKey is MRLIDGPNPPFOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-5-7-19-17(20-13)25-14-6-9-24-18(10-14)11-22(12-18)16(23)15-4-3-8-21(15)2/h3-5,7-8,14H,6,9-12H2,1-2H3.

What are the key properties of [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone?

[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 342.40 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 133142484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).