2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

C21H36N6O — CID 72839569

IUPAC2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCNc1ncc(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cn1
InChIInChI=1S/C21H36N6O/c1-4-9-22-20-23-14-18(15-24-20)16-26-10-7-21(8-11-26)6-5-19(28)27(17-21)13-12-25(2)3/h14-15H,4-13,16-17H2,1-3H3,(H,22,23,24)
InChIKeyCBKJVVODKSAKQR-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.06
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72839569) has the molecular formula C21H36N6O and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72839569
Molecular FormulaC21H36N6O
Molecular Weight388.56 g/mol
Exact Mass388.30
IUPAC Name2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCNc1ncc(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cn1
InChIInChI=1S/C21H36N6O/c1-4-9-22-20-23-14-18(15-24-20)16-26-10-7-21(8-11-26)6-5-19(28)27(17-21)13-12-25(2)3/h14-15H,4-13,16-17H2,1-3H3,(H,22,23,24)
InChIKeyCBKJVVODKSAKQR-UHFFFAOYSA-N
XLogP2.06
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70751725
2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 98895009
(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol
CID 72866844
N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72916067
2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide
CID 70736482
2-[2-(dimethylamino)ethyl]-9-[(2S)-2-pyrazol-1-ylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97112348
2-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98894775
(6S)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97121383
(6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97121384
9-[(4-acetyl-1-methylpyrrol-2-yl)methyl]-2-[3-(dimethylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72850084
1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one
CID 102536413
2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72867065

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72839569) is 2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is CCCNc1ncc(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cn1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CBKJVVODKSAKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O/c1-4-9-22-20-23-14-18(15-24-20)16-26-10-7-21(8-11-26)6-5-19(28)27(17-21)13-12-25(2)3/h14-15H,4-13,16-17H2,1-3H3,(H,22,23,24).
What are the key properties of 2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 388.56 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72839569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).