5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

C19H28N4O4 — CID 72876054

IUPAC5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCCCCN1CC2(CCCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C19H28N4O4/c1-2-3-8-22-12-19(7-5-15(22)24)6-4-9-23(13-19)16(25)10-14-11-20-18(27)21-17(14)26/h11H,2-10,12-13H2,1H3,(H2,20,21,26,27)
InChIKeyIFKUTWHHBGXXQB-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.64
Rot. Bonds5

About 5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 72876054) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID72876054
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCCCCN1CC2(CCCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C19H28N4O4/c1-2-3-8-22-12-19(7-5-15(22)24)6-4-9-23(13-19)16(25)10-14-11-20-18(27)21-17(14)26/h11H,2-10,12-13H2,1H3,(H2,20,21,26,27)
InChIKeyIFKUTWHHBGXXQB-UHFFFAOYSA-N
XLogP0.64
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 72876054) is 5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is CCCCN1CC2(CCCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)C2)CCC1=O.
What is the InChIKey of 5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is IFKUTWHHBGXXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-2-3-8-22-12-19(7-5-15(22)24)6-4-9-23(13-19)16(25)10-14-11-20-18(27)21-17(14)26/h11H,2-10,12-13H2,1H3,(H2,20,21,26,27).
What are the key properties of 5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 376.46 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-butyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72876054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).