3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

C19H28N6O — CID 118743452

IUPAC3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(Cc3nccn3C)CC2)CN1c1ncccn1
InChIInChI=1S/C19H28N6O/c1-23-11-8-20-17(23)13-24-9-4-19(5-10-24)12-16(14-26-2)25(15-19)18-21-6-3-7-22-18/h3,6-8,11,16H,4-5,9-10,12-15H2,1-2H3
InChIKeyJAHGRHIZZYIXDG-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.72
Rot. Bonds5

About 3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 118743452) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID118743452
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(Cc3nccn3C)CC2)CN1c1ncccn1
InChIInChI=1S/C19H28N6O/c1-23-11-8-20-17(23)13-24-9-4-19(5-10-24)12-16(14-26-2)25(15-19)18-21-6-3-7-22-18/h3,6-8,11,16H,4-5,9-10,12-15H2,1-2H3
InChIKeyJAHGRHIZZYIXDG-UHFFFAOYSA-N
XLogP1.72
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (CID 118743452) is 3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is COCC1CC2(CCN(Cc3nccn3C)CC2)CN1c1ncccn1.
What is the InChIKey of 3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is JAHGRHIZZYIXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-23-11-8-20-17(23)13-24-9-4-19(5-10-24)12-16(14-26-2)25(15-19)18-21-6-3-7-22-18/h3,6-8,11,16H,4-5,9-10,12-15H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 356.47 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 118743452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).