(5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one

C21H31N5O2 — CID 126424492

IUPAC(5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCNc1ncc(C(=O)N2CC[C@]3(CCCN(CC4CCCCC4)C3=O)C2)cn1
InChIInChI=1S/C21H31N5O2/c1-22-20-23-12-17(13-24-20)18(27)26-11-9-21(15-26)8-5-10-25(19(21)28)14-16-6-3-2-4-7-16/h12-13,16H,2-11,14-15H2,1H3,(H,22,23,24)/t21-/m1/s1
InChIKeyVGGMFAVBSHPRDQ-OAQYLSRUSA-N
MW385.51 g/mol
LogP2.55
Rot. Bonds4

About (5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 126424492) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID126424492
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name(5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCNc1ncc(C(=O)N2CC[C@]3(CCCN(CC4CCCCC4)C3=O)C2)cn1
InChIInChI=1S/C21H31N5O2/c1-22-20-23-12-17(13-24-20)18(27)26-11-9-21(15-26)8-5-10-25(19(21)28)14-16-6-3-2-4-7-16/h12-13,16H,2-11,14-15H2,1H3,(H,22,23,24)/t21-/m1/s1
InChIKeyVGGMFAVBSHPRDQ-OAQYLSRUSA-N
XLogP2.55
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

7-(cyclohexylmethyl)-2-(pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45220503
(5R)-7-(cyclohexylmethyl)-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26331163
(5R)-7-(cyclobutylmethyl)-2-(1-methyl-6-oxopyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97122026
(5S)-2-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126431792
N-[2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]acetamide
CID 26405192
(5R)-2-(3-acetylbenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148069
(5S)-2-(1,3-benzodioxole-5-carbonyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42113655
(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97125382
(5S)-7-(cyclopropylmethyl)-2-(3-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26405234
7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72902847
7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72883794
(5S)-2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97110657

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one (CID 126424492) is (5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one is CNc1ncc(C(=O)N2CC[C@]3(CCCN(CC4CCCCC4)C3=O)C2)cn1.
What is the InChIKey of (5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VGGMFAVBSHPRDQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-22-20-23-12-17(13-24-20)18(27)26-11-9-21(15-26)8-5-10-25(19(21)28)14-16-6-3-2-4-7-16/h12-13,16H,2-11,14-15H2,1H3,(H,22,23,24)/t21-/m1/s1.
What are the key properties of (5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 385.51 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 126424492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).