3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane

C16H26N4O — CID 56886496

IUPAC3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane
SMILESCOCc1ncc(CN2CCC3(CCNCC3)CC2)cn1
InChIInChI=1S/C16H26N4O/c1-21-13-15-18-10-14(11-19-15)12-20-8-4-16(5-9-20)2-6-17-7-3-16/h10-11,17H,2-9,12-13H2,1H3
InChIKeyAVCCJWHOHSLNDO-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.59
Rot. Bonds4

About 3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane

3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane (PubChem CID 56886496) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane
PubChem CID56886496
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane
SMILESCOCc1ncc(CN2CCC3(CCNCC3)CC2)cn1
InChIInChI=1S/C16H26N4O/c1-21-13-15-18-10-14(11-19-15)12-20-8-4-16(5-9-20)2-6-17-7-3-16/h10-11,17H,2-9,12-13H2,1H3
InChIKeyAVCCJWHOHSLNDO-UHFFFAOYSA-N
XLogP1.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane (CID 56886496) is 3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane is COCc1ncc(CN2CCC3(CCNCC3)CC2)cn1.
What is the InChIKey of 3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is AVCCJWHOHSLNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-21-13-15-18-10-14(11-19-15)12-20-8-4-16(5-9-20)2-6-17-7-3-16/h10-11,17H,2-9,12-13H2,1H3.
What are the key properties of 3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane?
3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 290.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 56886496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).