(5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one

C21H33N5O — CID 97156512

IUPAC(5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCNc1ncc(CN2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)cn1
InChIInChI=1S/C21H33N5O/c1-2-22-20-23-13-17(14-24-20)15-25-12-10-21(16-25)9-6-11-26(19(21)27)18-7-4-3-5-8-18/h13-14,18H,2-12,15-16H2,1H3,(H,22,23,24)/t21-/m1/s1
InChIKeyBOHHFCGJFNOMCO-OAQYLSRUSA-N
MW371.53 g/mol
LogP3.06
Rot. Bonds5

About (5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97156512) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is (5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97156512
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name(5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCNc1ncc(CN2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)cn1
InChIInChI=1S/C21H33N5O/c1-2-22-20-23-13-17(14-24-20)15-25-12-10-21(16-25)9-6-11-26(19(21)27)18-7-4-3-5-8-18/h13-14,18H,2-12,15-16H2,1H3,(H,22,23,24)/t21-/m1/s1
InChIKeyBOHHFCGJFNOMCO-OAQYLSRUSA-N
XLogP3.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97122565
(5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97133364
(5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
CID 97134259
7-cyclohexyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72941178
(5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115757
7-(oxan-4-yl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72855207
7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501882
7-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72895669
(5S)-7-cyclohexyl-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97124799
2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 143229463
(3R,4R)-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-hydroxy-3-(3-methylbutyl)piperidine-3-carboxylic acid
CID 163318602
7-(cyclobutylmethyl)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72871193

Frequently Asked Questions

What is the IUPAC name of (5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97156512) is (5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one is CCNc1ncc(CN2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)cn1.
What is the InChIKey of (5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BOHHFCGJFNOMCO-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H33N5O/c1-2-22-20-23-13-17(14-24-20)15-25-12-10-21(16-25)9-6-11-26(19(21)27)18-7-4-3-5-8-18/h13-14,18H,2-12,15-16H2,1H3,(H,22,23,24)/t21-/m1/s1.
What are the key properties of (5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 371.53 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97156512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).