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

C14H22N4O — CID 118739425

IUPAC3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCNCC2)CN1c1ncccn1
InChIInChI=1S/C14H22N4O/c1-19-10-12-9-14(3-7-15-8-4-14)11-18(12)13-16-5-2-6-17-13/h2,5-6,12,15H,3-4,7-11H2,1H3
InChIKeyWGRLDUCFXPMCKP-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.07
Rot. Bonds3

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

3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 118739425) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID118739425
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCNCC2)CN1c1ncccn1
InChIInChI=1S/C14H22N4O/c1-19-10-12-9-14(3-7-15-8-4-14)11-18(12)13-16-5-2-6-17-13/h2,5-6,12,15H,3-4,7-11H2,1H3
InChIKeyWGRLDUCFXPMCKP-UHFFFAOYSA-N
XLogP1.07
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (CID 118739425) is 3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is COCC1CC2(CCNCC2)CN1c1ncccn1.
What is the InChIKey of 3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is WGRLDUCFXPMCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-19-10-12-9-14(3-7-15-8-4-14)11-18(12)13-16-5-2-6-17-13/h2,5-6,12,15H,3-4,7-11H2,1H3.
What are the key properties of 3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 262.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 118739425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).