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

C20H27N5O — CID 118747096

IUPAC3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(Cc3ccccn3)CC2)CN1c1ncccn1
InChIInChI=1S/C20H27N5O/c1-26-15-18-13-20(16-25(18)19-22-9-4-10-23-19)6-11-24(12-7-20)14-17-5-2-3-8-21-17/h2-5,8-10,18H,6-7,11-16H2,1H3
InChIKeyZVXVILNYTARZQK-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.38
Rot. Bonds5

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

3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 118747096) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID118747096
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(Cc3ccccn3)CC2)CN1c1ncccn1
InChIInChI=1S/C20H27N5O/c1-26-15-18-13-20(16-25(18)19-22-9-4-10-23-19)6-11-24(12-7-20)14-17-5-2-3-8-21-17/h2-5,8-10,18H,6-7,11-16H2,1H3
InChIKeyZVXVILNYTARZQK-UHFFFAOYSA-N
XLogP2.38
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 131646590
3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131649184
8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118743446
[(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97375074
[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
CID 131655883
3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171695629
2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 131652945
N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451205
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 125011492
2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449549

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (CID 118747096) is 3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is COCC1CC2(CCN(Cc3ccccn3)CC2)CN1c1ncccn1.
What is the InChIKey of 3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is ZVXVILNYTARZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-26-15-18-13-20(16-25(18)19-22-9-4-10-23-19)6-11-24(12-7-20)14-17-5-2-3-8-21-17/h2-5,8-10,18H,6-7,11-16H2,1H3.
What are the key properties of 3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 353.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 118747096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).