5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione

C17H24N4O5 — CID 72856251

IUPAC5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione
SMILESCOCCN1CCCC2(CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1=O
InChIInChI=1S/C17H24N4O5/c1-19-10-12(13(22)18-16(19)25)14(23)21-7-5-17(11-21)4-3-6-20(15(17)24)8-9-26-2/h10H,3-9,11H2,1-2H3,(H,18,22,25)
InChIKeyHCDFHZSRDNHJRR-UHFFFAOYSA-N
MW364.40 g/mol
LogP-0.83
Rot. Bonds4

About 5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione

5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione (PubChem CID 72856251) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione
PubChem CID72856251
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione
SMILESCOCCN1CCCC2(CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1=O
InChIInChI=1S/C17H24N4O5/c1-19-10-12(13(22)18-16(19)25)14(23)21-7-5-17(11-21)4-3-6-20(15(17)24)8-9-26-2/h10H,3-9,11H2,1-2H3,(H,18,22,25)
InChIKeyHCDFHZSRDNHJRR-UHFFFAOYSA-N
XLogP-0.83
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione (CID 72856251) is 5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione is COCCN1CCCC2(CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1=O.
What is the InChIKey of 5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is HCDFHZSRDNHJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-19-10-12(13(22)18-16(19)25)14(23)21-7-5-17(11-21)4-3-6-20(15(17)24)8-9-26-2/h10H,3-9,11H2,1-2H3,(H,18,22,25).
What are the key properties of 5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione?
5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 364.40 g/mol, XLogP of -0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 72856251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).