N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine - CAS 477600-73-0

Catalog: BB026391
Product Name: N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CAS: 477600-73-0
Synonyms: Des-(N-oxopropanenitrile)-N-methylbenzyl; N-Methyl-N-[(3R,4R)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine; Tofacitinib Impurity 10
N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

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Computed Properties
IUPAC Name:N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Description:One of the impurities of Tofacitinib, which is a Janus kinase inhibitor and could be used against rheumatoid arthritis.
Molecular Weight:335.45
Molecular Formula:C20H25N5
Canonical SMILES:CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)CC4=CC=CC=C4
InChI:InChI=1S/C20H25N5/c1-15-9-11-25(12-16-6-4-3-5-7-16)13-18(15)24(2)20-17-8-10-21-19(17)22-14-23-20/h3-8,10,14-15,18H,9,11-13H2,1-2H3,(H,21,22,23)/t15-,18+/m1/s1
InChI Key:UMWNXPTXDOVDFE-QAPCUYQASA-N
Purity:95% by HPLC
LogP:3.24260

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