2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone

C17H26N4O3 — CID 91921945

IUPAC2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCCOCC(=O)N1CCC2(CC1)CN(c1ncccn1)CC2CO
InChIInChI=1S/C17H26N4O3/c1-2-24-12-15(23)20-8-4-17(5-9-20)13-21(10-14(17)11-22)16-18-6-3-7-19-16/h3,6-7,14,22H,2,4-5,8-13H2,1H3
InChIKeyDIDQHFJKWOZEEO-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.55
Rot. Bonds5

About 2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone

2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 91921945) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID91921945
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCCOCC(=O)N1CCC2(CC1)CN(c1ncccn1)CC2CO
InChIInChI=1S/C17H26N4O3/c1-2-24-12-15(23)20-8-4-17(5-9-20)13-21(10-14(17)11-22)16-18-6-3-7-19-16/h3,6-7,14,22H,2,4-5,8-13H2,1H3
InChIKeyDIDQHFJKWOZEEO-UHFFFAOYSA-N
XLogP0.55
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 91921945) is 2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone is CCOCC(=O)N1CCC2(CC1)CN(c1ncccn1)CC2CO.
What is the InChIKey of 2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is DIDQHFJKWOZEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-2-24-12-15(23)20-8-4-17(5-9-20)13-21(10-14(17)11-22)16-18-6-3-7-19-16/h3,6-7,14,22H,2,4-5,8-13H2,1H3.
What are the key properties of 2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 334.42 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 91921945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).