5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione

C17H24N4O5 — CID 70763629

IUPAC5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCOCCN1CC2(CCCN(C(=O)c3c[nH]c(=O)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C17H24N4O5/c1-26-8-7-20-10-17(5-3-13(20)22)4-2-6-21(11-17)15(24)12-9-18-16(25)19-14(12)23/h9H,2-8,10-11H2,1H3,(H2,18,19,23,25)
InChIKeyNFEFBCNQIAZXGC-UHFFFAOYSA-N
MW364.40 g/mol
LogP-0.45
Rot. Bonds4

About 5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione

5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 70763629) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID70763629
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCOCCN1CC2(CCCN(C(=O)c3c[nH]c(=O)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C17H24N4O5/c1-26-8-7-20-10-17(5-3-13(20)22)4-2-6-21(11-17)15(24)12-9-18-16(25)19-14(12)23/h9H,2-8,10-11H2,1H3,(H2,18,19,23,25)
InChIKeyNFEFBCNQIAZXGC-UHFFFAOYSA-N
XLogP-0.45
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione (CID 70763629) is 5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione is COCCN1CC2(CCCN(C(=O)c3c[nH]c(=O)[nH]c3=O)C2)CCC1=O.
What is the InChIKey of 5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is NFEFBCNQIAZXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-26-8-7-20-10-17(5-3-13(20)22)4-2-6-21(11-17)15(24)12-9-18-16(25)19-14(12)23/h9H,2-8,10-11H2,1H3,(H2,18,19,23,25).
What are the key properties of 5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione?
5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 364.40 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70763629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).