1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane

C14H22N4O — CID 66318528

IUPAC1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
SMILESCOc1cc(N2CCNCC23CCCCC3)ncn1
InChIInChI=1S/C14H22N4O/c1-19-13-9-12(16-11-17-13)18-8-7-15-10-14(18)5-3-2-4-6-14/h9,11,15H,2-8,10H2,1H3
InChIKeyNXLOFZTZDRAVLX-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.60
Rot. Bonds2

About 1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane

1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane (PubChem CID 66318528) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
PubChem CID66318528
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
SMILESCOc1cc(N2CCNCC23CCCCC3)ncn1
InChIInChI=1S/C14H22N4O/c1-19-13-9-12(16-11-17-13)18-8-7-15-10-14(18)5-3-2-4-6-14/h9,11,15H,2-8,10H2,1H3
InChIKeyNXLOFZTZDRAVLX-UHFFFAOYSA-N
XLogP1.60
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane (CID 66318528) is 1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane is COc1cc(N2CCNCC23CCCCC3)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is NXLOFZTZDRAVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-19-13-9-12(16-11-17-13)18-8-7-15-10-14(18)5-3-2-4-6-14/h9,11,15H,2-8,10H2,1H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane?
1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 262.36 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 66318528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).