Name: Name:N-((3R,4R)-1-benzyl-4-Methylpiperidin-3-yl)-2-chloro-N-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine
Brand: Angene
SKU: AG00GU0B
Rating: 90 (10 reviews)

N-((3R,4R)-1-benzyl-4-Methylpiperidin-3-yl)-2-chloro-N-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine

CAS No.:

923036-25-3

Catalog Number:

AG00GU0B

Molecular Formula:

C20H24ClN5

Molecular Weight:

369.8911

Catalog Number:

AG00GU0B

Chemical Name:

N-((3R,4R)-1-benzyl-4-Methylpiperidin-3-yl)-2-chloro-N-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine

CAS Number:

923036-25-3

Molecular Formula:

C20H24ClN5

Molecular Weight:

369.8911

MDL Number:

MFCD23160082

IUPAC Name:

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

InChI:

InChI=1S/C20H24ClN5/c1-14-9-11-26(12-15-6-4-3-5-7-15)13-17(14)25(2)19-16-8-10-22-18(16)23-20(21)24-19/h3-8,10,14,17H,9,11-13H2,1-2H3,(H,22,23,24)/t14-,17+/m1/s1

InChI Key:

MXIDKFWWKNFJKE-PBHICJAKSA-N

SMILES:

C[C@@H]1CCN(C[C@@H]1N(c1nc(Cl)nc2c1cc[nH]2)C)Cc1ccccc1

Complexity:

458

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

369.172g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

369.897g/mol

Monoisotopic Mass:

369.172g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

48A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6