1-{[(2R,4S,5R)-5-{6-[4-(Dimethylamino)phenyl]-2-methyl-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-isopropylurea

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Systematic / IUPAC Name: 1-[[(2R,4S,5R)-5-[6-[4-(Dimethylamino)phenyl]-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea

ID: Reference9944

Other Names: Urea, N-[[(2R,4S,5R)-5-[6-[4-(dimethylamino)phenyl]-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-(1-methylethyl)-;
NAT13-343212

Formula: C25H36N6O

Spectral Data

1-{[(2R,4S,5R)-5-{6-[4-(Dimethylamino)phenyl]-2-methyl-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-isopropylurea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 150
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 9/17/2020 10:18:56 AM
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Identificators

InChI InChI=1S/C25H36N6O/c1-16(2)27-25(32)26-14-21-12-19-10-11-31(21)15-22(19)24-13-23(28-17(3)29-24)18-6-8-20(9-7-18)30(4)5/h6-9,13,16,19,21-22H,10-12,14-15H2,1-5H3,(H2,26,27,32)/t19-,21+,22-/m0/s1
InChI Key IAAJKGASZDCMQU-NNWRFLSQSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)NC(C)C)C4=CC=C(C=C4)N(C)C
CAS
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Other Names Urea, N-[[(2R,4S,5R)-5-[6-[4-(dimethylamino)phenyl]-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-(1-methylethyl)-;
NAT13-343212

In Other Databases

PubChem 26742496
ChemSpider 21382023