1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone

C15H22N4O2 — CID 118742796

IUPAC1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
SMILESCC(=O)N1CCCC2(C1)CN(c1ncc(C)cn1)CCO2
InChIInChI=1S/C15H22N4O2/c1-12-8-16-14(17-9-12)19-6-7-21-15(11-19)4-3-5-18(10-15)13(2)20/h8-9H,3-7,10-11H2,1-2H3
InChIKeyNQHRIFKQKACRCE-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.00
Rot. Bonds1

About 1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone

1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone (PubChem CID 118742796) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
PubChem CID118742796
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
SMILESCC(=O)N1CCCC2(C1)CN(c1ncc(C)cn1)CCO2
InChIInChI=1S/C15H22N4O2/c1-12-8-16-14(17-9-12)19-6-7-21-15(11-19)4-3-5-18(10-15)13(2)20/h8-9H,3-7,10-11H2,1-2H3
InChIKeyNQHRIFKQKACRCE-UHFFFAOYSA-N
XLogP1.00
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-Methyl-1,4'-bipiperidin-1'-yl][2-(morpholin-4-yl)pyrimidin-5-yl]methanone
CID 118166529
(4S*)-4-(methoxymethyl)-3,3-dimethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol
CID 72873601
2-(Dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450998
2-Methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450999
4-Pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97451007
2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
1-[(5aR,9aS)-8-(5-ethylpyrimidin-2-yl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-4-yl]ethanone
CID 97511587
4-[[2-(2-Methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine
CID 110118022
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine
CID 110118038
[4-[(2-Methoxypyrimidin-5-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 110268377
4-(5-Methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739020
2-Methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
CID 118739023

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
The IUPAC name of 1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone (CID 118742796) is 1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone.
What is the SMILES notation for 1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
The canonical SMILES for 1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone is CC(=O)N1CCCC2(C1)CN(c1ncc(C)cn1)CCO2.
What is the InChIKey of 1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
The InChIKey is NQHRIFKQKACRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12-8-16-14(17-9-12)19-6-7-21-15(11-19)4-3-5-18(10-15)13(2)20/h8-9H,3-7,10-11H2,1-2H3.
What are the key properties of 1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone has a molecular weight of 290.37 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone is sourced from PubChem (CID 118742796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).