2-acetyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H26N4O3 — CID 56895596

About 2-acetyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-acetyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56895596) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-acetyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-acetyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 56895596
• Molecular Formula: C18H26N4O3
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.20
• IUPAC Name: 2-acetyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: CC(=O)N1CC2(CCN(c3ncncc3C(C)C)CC2)CC1C(=O)O
• InChI: InChI=1S/C18H26N4O3/c1-12(2)14-9-19-11-20-16(14)21-6-4-18(5-7-21)8-15(17(24)25)22(10-18)13(3)23/h9,11-12,15H,4-8,10H2,1-3H3,(H,24,25)
• InChIKey: KXOLRVSGZAWBRO-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 86.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of 2-acetyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56895596) is 2-acetyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for 2-acetyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for 2-acetyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CC(=O)N1CC2(CCN(c3ncncc3C(C)C)CC2)CC1C(=O)O.

What is the InChIKey of 2-acetyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is KXOLRVSGZAWBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12(2)14-9-19-11-20-16(14)21-6-4-18(5-7-21)8-15(17(24)25)22(10-18)13(3)23/h9,11-12,15H,4-8,10H2,1-3H3,(H,24,25).

What are the key properties of 2-acetyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

2-acetyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56895596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).