8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C17H25N5O3 — CID 72882839

About 8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72882839) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: 8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• PubChem CID: 72882839
• Molecular Formula: C17H25N5O3
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.20
• IUPAC Name: 8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• SMILES: CCN(C)c1ccnc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)n1
• InChI: InChI=1S/C17H25N5O3/c1-4-20(2)13-5-8-18-16(19-13)22-9-6-17(7-10-22)12(15(24)25)11-14(23)21(17)3/h5,8,12H,4,6-7,9-11H2,1-3H3,(H,24,25)
• InChIKey: MHOKDUSRAJROTP-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 89.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The IUPAC name of 8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72882839) is 8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

What is the SMILES notation for 8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The canonical SMILES for 8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CCN(C)c1ccnc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)n1.

What is the InChIKey of 8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The InChIKey is MHOKDUSRAJROTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-4-20(2)13-5-8-18-16(19-13)22-9-6-17(7-10-22)12(15(24)25)11-14(23)21(17)3/h5,8,12H,4,6-7,9-11H2,1-3H3,(H,24,25).

What are the key properties of 8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72882839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).