8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

C17H28N4O2 — CID 118746394

IUPAC8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCCN1CCC2(CC1)CC(COC)N(c1ncccn1)C2
InChIInChI=1S/C17H28N4O2/c1-22-11-10-20-8-4-17(5-9-20)12-15(13-23-2)21(14-17)16-18-6-3-7-19-16/h3,6-7,15H,4-5,8-14H2,1-2H3
InChIKeyDHBOSBMSWFWXIG-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.43
Rot. Bonds6

About 8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 118746394) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID118746394
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCCN1CCC2(CC1)CC(COC)N(c1ncccn1)C2
InChIInChI=1S/C17H28N4O2/c1-22-11-10-20-8-4-17(5-9-20)12-15(13-23-2)21(14-17)16-18-6-3-7-19-16/h3,6-7,15H,4-5,8-14H2,1-2H3
InChIKeyDHBOSBMSWFWXIG-UHFFFAOYSA-N
XLogP1.43
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (CID 118746394) is 8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is COCCN1CCC2(CC1)CC(COC)N(c1ncccn1)C2.
What is the InChIKey of 8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is DHBOSBMSWFWXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-22-11-10-20-8-4-17(5-9-20)12-15(13-23-2)21(14-17)16-18-6-3-7-19-16/h3,6-7,15H,4-5,8-14H2,1-2H3.
What are the key properties of 8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 320.44 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 118746394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).