7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one

C20H30N4O — CID 45212678

IUPAC7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCC2CCCCC2)CCCC12CCN(c1ncccn1)C2
InChIInChI=1S/C20H30N4O/c25-18-20(10-15-24(16-20)19-21-11-5-12-22-19)9-4-13-23(18)14-8-17-6-2-1-3-7-17/h5,11-12,17H,1-4,6-10,13-16H2
InChIKeyAGMXKNKIMNVSIM-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.27
Rot. Bonds4

About 7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one

7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45212678) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45212678
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCC2CCCCC2)CCCC12CCN(c1ncccn1)C2
InChIInChI=1S/C20H30N4O/c25-18-20(10-15-24(16-20)19-21-11-5-12-22-19)9-4-13-23(18)14-8-17-6-2-1-3-7-17/h5,11-12,17H,1-4,6-10,13-16H2
InChIKeyAGMXKNKIMNVSIM-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 42465599
7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226798
(5R)-7-(2-cyclohexylethyl)-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25453422
(5S)-7-(2-cyclohexylethyl)-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25453417
(5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95877011
(5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97118355
(5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97130596
(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490113
2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
CID 97127606
2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
CID 97127607
(5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97154315
2-(1-methylpyrazol-4-yl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131651201

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 45212678) is 7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CCC2CCCCC2)CCCC12CCN(c1ncccn1)C2.
What is the InChIKey of 7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is AGMXKNKIMNVSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c25-18-20(10-15-24(16-20)19-21-11-5-12-22-19)9-4-13-23(18)14-8-17-6-2-1-3-7-17/h5,11-12,17H,1-4,6-10,13-16H2.
What are the key properties of 7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 342.49 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45212678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).