(5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

C21H26N4O — CID 97451540

About (5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

(5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97451540) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 97451540
• Molecular Formula: C21H26N4O
• Molecular Weight: 350.47 g/mol
• Exact Mass: 350.21
• IUPAC Name: (5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: CCc1cnc(N2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)nc1
• InChI: InChI=1S/C21H26N4O/c1-3-17-12-22-20(23-13-17)25-10-8-21(15-25)7-9-24(19(21)26)14-18-6-4-5-16(2)11-18/h4-6,11-13H,3,7-10,14-15H2,1-2H3/t21-/m0/s1
• InChIKey: ODJGZDKZDCVFEO-NRFANRHFSA-N
• XLogP: 2.98
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.47
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of (5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 97451540) is (5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for (5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for (5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is CCc1cnc(N2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)nc1.

What is the InChIKey of (5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is ODJGZDKZDCVFEO-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-17-12-22-20(23-13-17)25-10-8-21(15-25)7-9-24(19(21)26)14-18-6-4-5-16(2)11-18/h4-6,11-13H,3,7-10,14-15H2,1-2H3/t21-/m0/s1.

What are the key properties of (5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?

(5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 350.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97451540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).