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

C20H30N4O4 — CID 72839368

IUPAC5-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)CCN1CC2(CCCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C20H30N4O4/c1-14(2)5-9-24-13-20(7-4-16(24)25)6-3-8-23(12-20)17(26)10-15-11-21-19(28)22-18(15)27/h11,14H,3-10,12-13H2,1-2H3,(H2,21,22,27,28)
InChIKeyXADAMZCISNAGPK-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.88
Rot. Bonds5

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

5-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 72839368) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 5-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID72839368
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name5-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)CCN1CC2(CCCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C20H30N4O4/c1-14(2)5-9-24-13-20(7-4-16(24)25)6-3-8-23(12-20)17(26)10-15-11-21-19(28)22-18(15)27/h11,14H,3-10,12-13H2,1-2H3,(H2,21,22,27,28)
InChIKeyXADAMZCISNAGPK-UHFFFAOYSA-N
XLogP0.88
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 72839368) is 5-[2-[2-(3-methylbutyl)-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-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is CC(C)CCN1CC2(CCCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)C2)CCC1=O.
What is the InChIKey of 5-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XADAMZCISNAGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-14(2)5-9-24-13-20(7-4-16(24)25)6-3-8-23(12-20)17(26)10-15-11-21-19(28)22-18(15)27/h11,14H,3-10,12-13H2,1-2H3,(H2,21,22,27,28).
What are the key properties of 5-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 390.48 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72839368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).