2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H37N5O — CID 70751725

About 2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70751725) has the molecular formula C22H37N5O and a molecular weight of 387.57 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 70751725
• Molecular Formula: C22H37N5O
• Molecular Weight: 387.57 g/mol
• Exact Mass: 387.30
• IUPAC Name: 2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: CC(C)c1ncc(CN2CCC3(CCC(=O)N(CCCN(C)C)C3)CC2)cn1
• InChI: InChI=1S/C22H37N5O/c1-18(2)21-23-14-19(15-24-21)16-26-12-8-22(9-13-26)7-6-20(28)27(17-22)11-5-10-25(3)4/h14-15,18H,5-13,16-17H2,1-4H3
• InChIKey: ODXGWFKCGWHWHN-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 52.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.57
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70751725) is 2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is CC(C)c1ncc(CN2CCC3(CCC(=O)N(CCCN(C)C)C3)CC2)cn1.

What is the InChIKey of 2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is ODXGWFKCGWHWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O/c1-18(2)21-23-14-19(15-24-21)16-26-12-8-22(9-13-26)7-6-20(28)27(17-22)11-5-10-25(3)4/h14-15,18H,5-13,16-17H2,1-4H3.

What are the key properties of 2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 387.57 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70751725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).