5-[2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C19H29N5O4 — CID 72918493

About 5-[2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

5-[2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 72918493) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-[2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
• PubChem CID: 72918493
• Molecular Formula: C19H29N5O4
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.22
• IUPAC Name: 5-[2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
• SMILES: CN(C)CCN1CC2(CCC1=O)CCN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CC2
• InChI: InChI=1S/C19H29N5O4/c1-22(2)9-10-24-13-19(4-3-15(24)25)5-7-23(8-6-19)16(26)11-14-12-20-18(28)21-17(14)27/h12H,3-11,13H2,1-2H3,(H2,20,21,27,28)
• InChIKey: QKFUYMOCWLMOBU-UHFFFAOYSA-N
• XLogP: -0.60
• TPSA: 109.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	-0.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-[2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 72918493) is 5-[2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-[2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-[2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is CN(C)CCN1CC2(CCC1=O)CCN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CC2.

What is the InChIKey of 5-[2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?

The InChIKey is QKFUYMOCWLMOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-22(2)9-10-24-13-19(4-3-15(24)25)5-7-23(8-6-19)16(26)11-14-12-20-18(28)21-17(14)27/h12H,3-11,13H2,1-2H3,(H2,20,21,27,28).

What are the key properties of 5-[2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?

5-[2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 391.47 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72918493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).