2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

C19H26N6O — CID 70777393

About 2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70777393) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 70777393
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: 2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cc(N2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)ncn1
• InChI: InChI=1S/C19H26N6O/c1-15-10-17(23-14-21-15)24-8-5-19(6-9-24)4-2-18(26)25(12-19)7-3-16-11-20-13-22-16/h10-11,13-14H,2-9,12H2,1H3,(H,20,22)
• InChIKey: GHJDHTXYFGQTEE-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70777393) is 2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(N2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)ncn1.

What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is GHJDHTXYFGQTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-15-10-17(23-14-21-15)24-8-5-19(6-9-24)4-2-18(26)25(12-19)7-3-16-11-20-13-22-16/h10-11,13-14H,2-9,12H2,1H3,(H,20,22).

What are the key properties of 2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?

2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 354.46 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70777393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).