(5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one

C23H28N4O3 — CID 126438724

About (5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 126438724) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is (5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: (5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 126438724
• Molecular Formula: C23H28N4O3
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.22
• IUPAC Name: (5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: Cc1ncc(C(=O)N2CC[C@@]3(CCCN(CCCc4ccccc4)C3=O)C2)c(=O)[nH]1
• InChI: InChI=1S/C23H28N4O3/c1-17-24-15-19(20(28)25-17)21(29)27-14-11-23(16-27)10-6-13-26(22(23)30)12-5-9-18-7-3-2-4-8-18/h2-4,7-8,15H,5-6,9-14,16H2,1H3,(H,24,25,28)/t23-/m0/s1
• InChIKey: ITHPIHFJXCYJIW-QHCPKHFHSA-N
• XLogP: 2.17
• TPSA: 86.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of (5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one (CID 126438724) is (5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for (5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for (5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1ncc(C(=O)N2CC[C@@]3(CCCN(CCCc4ccccc4)C3=O)C2)c(=O)[nH]1.

What is the InChIKey of (5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is ITHPIHFJXCYJIW-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17-24-15-19(20(28)25-17)21(29)27-14-11-23(16-27)10-6-13-26(22(23)30)12-5-9-18-7-3-2-4-8-18/h2-4,7-8,15H,5-6,9-14,16H2,1H3,(H,24,25,28)/t23-/m0/s1.

What are the key properties of (5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one?

(5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 408.50 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 126438724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).