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

C19H28N4O5 — CID 72905606

IUPAC5-[2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCOCCCN1CC2(CCC1=O)CCN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CC2
InChIInChI=1S/C19H28N4O5/c1-28-10-2-7-23-13-19(4-3-15(23)24)5-8-22(9-6-19)16(25)11-14-12-20-18(27)21-17(14)26/h12H,2-11,13H2,1H3,(H2,20,21,26,27)
InChIKeyZFOJXECMYUEQQD-UHFFFAOYSA-N
MW392.46 g/mol
LogP-0.13
Rot. Bonds6

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

5-[2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 72905606) has the molecular formula C19H28N4O5 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID72905606
Molecular FormulaC19H28N4O5
Molecular Weight392.46 g/mol
Exact Mass392.21
IUPAC Name5-[2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCOCCCN1CC2(CCC1=O)CCN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CC2
InChIInChI=1S/C19H28N4O5/c1-28-10-2-7-23-13-19(4-3-15(23)24)5-8-22(9-6-19)16(25)11-14-12-20-18(27)21-17(14)26/h12H,2-11,13H2,1H3,(H2,20,21,26,27)
InChIKeyZFOJXECMYUEQQD-UHFFFAOYSA-N
XLogP-0.13
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 72905606) is 5-[2-[2-(3-methoxypropyl)-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-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is COCCCN1CC2(CCC1=O)CCN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CC2.
What is the InChIKey of 5-[2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is ZFOJXECMYUEQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5/c1-28-10-2-7-23-13-19(4-3-15(23)24)5-8-22(9-6-19)16(25)11-14-12-20-18(27)21-17(14)26/h12H,2-11,13H2,1H3,(H2,20,21,26,27).
What are the key properties of 5-[2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 392.46 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72905606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).