N-Methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-7H-pyrrolo[2,3-D]pyrimidin-4-amine

C₁₃H₁₉N₅CAS 477600-74-1245.33 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₃H₁₉N₅
Molar mass: 245.33 g/mol
Exact mass: 245.1640 Da
logP: 1.39Crippen estimate
Polar surface area: 56.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

477600-74-1

SMILES

C[C@@H]1CCNC[C@@H]1N(C)c1ncnc2[nH]ccc12

InChIKey

XRIARWQZLGCQDM-KOLCDFICSA-N

InChI

InChI=1S/C13H19N5/c1-9-3-5-14-7-11(9)18(2)13-10-4-6-15-12(10)16-8-17-13/h4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,15,16,17)/t9-,11+/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-
1H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-
(3R,4R)-Methyl{(4-methylpiperidin-3-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)}amine

Work with N-Methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-7H-pyrrolo[2,3-D]pyrimidin-4-amine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Methyl-N-[(3R,4R)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-7H-pyrrolo[2,3-D]pyrimidin-4-amine477600-73-058 % similar Epitofacitinib, (3R,4S)-1092578-46-554 % similar (3S,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-D]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile1092578-48-754 % similar Tofacitinib477600-75-254 % similar Oclacitinib1208319-26-948 % similar Tofacitinib citrate540737-29-943 % similar Oclacitinib maleate1208319-27-041 % similar 7-Deazahypoxanthine3680-71-534 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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