2-(3-methoxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H26N4O4 — CID 72933032

About 2-(3-methoxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(3-methoxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72933032) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 2-(3-methoxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72933032
• Molecular Formula: C18H26N4O4
• Molecular Weight: 362.43 g/mol
• Exact Mass: 362.20
• IUPAC Name: 2-(3-methoxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: COCCCN1CC2(CCC1=O)CCN(C(=O)c1cnc[nH]c1=O)CC2
• InChI: InChI=1S/C18H26N4O4/c1-26-10-2-7-22-12-18(4-3-15(22)23)5-8-21(9-6-18)17(25)14-11-19-13-20-16(14)24/h11,13H,2-10,12H2,1H3,(H,19,20,24)
• InChIKey: DGFIOGQWQZARBQ-UHFFFAOYSA-N
• XLogP: 0.65
• TPSA: 95.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.43
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 2-(3-methoxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72933032) is 2-(3-methoxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 2-(3-methoxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 2-(3-methoxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCCN1CC2(CCC1=O)CCN(C(=O)c1cnc[nH]c1=O)CC2.

What is the InChIKey of 2-(3-methoxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is DGFIOGQWQZARBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-26-10-2-7-22-12-18(4-3-15(22)23)5-8-21(9-6-18)17(25)14-11-19-13-20-16(14)24/h11,13H,2-10,12H2,1H3,(H,19,20,24).

What are the key properties of 2-(3-methoxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?

2-(3-methoxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.43 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72933032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).