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

C17H24N4O5 — CID 70783593

IUPAC5-[2-[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C1CCC2(CCCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)C2)CN1CCO
InChIInChI=1S/C17H24N4O5/c22-7-6-21-11-17(4-2-13(21)23)3-1-5-20(10-17)14(24)8-12-9-18-16(26)19-15(12)25/h9,22H,1-8,10-11H2,(H2,18,19,25,26)
InChIKeyOIQJBHRVFKIGPS-UHFFFAOYSA-N
MW364.40 g/mol
LogP-1.17
Rot. Bonds4

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

5-[2-[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70783593) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 5-[2-[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID70783593
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name5-[2-[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C1CCC2(CCCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)C2)CN1CCO
InChIInChI=1S/C17H24N4O5/c22-7-6-21-11-17(4-2-13(21)23)3-1-5-20(10-17)14(24)8-12-9-18-16(26)19-15(12)25/h9,22H,1-8,10-11H2,(H2,18,19,25,26)
InChIKeyOIQJBHRVFKIGPS-UHFFFAOYSA-N
XLogP-1.17
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 70783593) is 5-[2-[2-(2-hydroxyethyl)-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-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C1CCC2(CCCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)C2)CN1CCO.
What is the InChIKey of 5-[2-[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is OIQJBHRVFKIGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c22-7-6-21-11-17(4-2-13(21)23)3-1-5-20(10-17)14(24)8-12-9-18-16(26)19-15(12)25/h9,22H,1-8,10-11H2,(H2,18,19,25,26).
What are the key properties of 5-[2-[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 364.40 g/mol, XLogP of -1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70783593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).