cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

C21H33N5O — CID 95199024

IUPACcyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCCCNc1ncc(CN2CCC[C@]3(CCN(C(=O)C4CCC4)C3)C2)cn1
InChIInChI=1S/C21H33N5O/c1-2-9-22-20-23-12-17(13-24-20)14-25-10-4-7-21(15-25)8-11-26(16-21)19(27)18-5-3-6-18/h12-13,18H,2-11,14-16H2,1H3,(H,22,23,24)/t21-/m0/s1
InChIKeyOHSMROUUKZJTJK-NRFANRHFSA-N
MW371.53 g/mol
LogP2.91
Rot. Bonds6

About cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 95199024) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID95199024
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Namecyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCCCNc1ncc(CN2CCC[C@]3(CCN(C(=O)C4CCC4)C3)C2)cn1
InChIInChI=1S/C21H33N5O/c1-2-9-22-20-23-12-17(13-24-20)14-25-10-4-7-21(15-25)8-11-26(16-21)19(27)18-5-3-6-18/h12-13,18H,2-11,14-16H2,1H3,(H,22,23,24)/t21-/m0/s1
InChIKeyOHSMROUUKZJTJK-NRFANRHFSA-N
XLogP2.91
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45238198
cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42286380
cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450466
[(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone
CID 98287421
oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 133144937
(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol
CID 72866844
1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one
CID 56885365
cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone
CID 97484588
5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99930314
5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99930315
[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
CID 77098097
cyclobutyl-[(1S,5S)-6-[[2-(ethylamino)pyrimidin-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 155545888

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 95199024) is cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is CCCNc1ncc(CN2CCC[C@]3(CCN(C(=O)C4CCC4)C3)C2)cn1.
What is the InChIKey of cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is OHSMROUUKZJTJK-NRFANRHFSA-N. The full InChI is InChI=1S/C21H33N5O/c1-2-9-22-20-23-12-17(13-24-20)14-25-10-4-7-21(15-25)8-11-26(16-21)19(27)18-5-3-6-18/h12-13,18H,2-11,14-16H2,1H3,(H,22,23,24)/t21-/m0/s1.
What are the key properties of cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 371.53 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 95199024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).