(5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

C21H32N4O2 — CID 58653471

IUPAC(5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCCc1cnc(N2CCC[C@@]3(CCN(C4CCC(OC)CC4)C3=O)C2)nc1
InChIInChI=1S/C21H32N4O2/c1-3-16-13-22-20(23-14-16)24-11-4-9-21(15-24)10-12-25(19(21)26)17-5-7-18(27-2)8-6-17/h13-14,17-18H,3-12,15H2,1-2H3/t17?,18?,21-/m1/s1
InChIKeyPWMHXCQGRNSEPC-WIXQSORDSA-N
MW372.51 g/mol
LogP2.82
Rot. Bonds4

About (5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 58653471) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID58653471
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name(5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCCc1cnc(N2CCC[C@@]3(CCN(C4CCC(OC)CC4)C3=O)C2)nc1
InChIInChI=1S/C21H32N4O2/c1-3-16-13-22-20(23-14-16)24-11-4-9-21(15-24)10-12-25(19(21)26)17-5-7-18(27-2)8-6-17/h13-14,17-18H,3-12,15H2,1-2H3/t17?,18?,21-/m1/s1
InChIKeyPWMHXCQGRNSEPC-WIXQSORDSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile
CID 58653579
(5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653425
2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one
CID 66722612
methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate
CID 76677792
2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 119065189
7-(5-ethylpyrimidin-2-yl)-2-methoxy-7-azaspiro[3.5]nonane
CID 97451274
4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide
CID 58653217
methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate
CID 143229607
ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate
CID 76677750
2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 143229463
(5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 68747143
9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722584

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (CID 58653471) is (5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is CCc1cnc(N2CCC[C@@]3(CCN(C4CCC(OC)CC4)C3=O)C2)nc1.
What is the InChIKey of (5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is PWMHXCQGRNSEPC-WIXQSORDSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-3-16-13-22-20(23-14-16)24-11-4-9-21(15-24)10-12-25(19(21)26)17-5-7-18(27-2)8-6-17/h13-14,17-18H,3-12,15H2,1-2H3/t17?,18?,21-/m1/s1.
What are the key properties of (5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 372.51 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58653471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).