AG00I8P4

477600-74-1 | 1H-Pyrrolo[2,3-d]pyrimidin-4-amine,N-methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-

AG00I8P4

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CAS Number	477600-74-1
Catalog Number	AG00I8P4(AGN-PC-0RW3A7)
Chemical Name	1H-Pyrrolo[2,3-d]pyrimidin-4-amine,N-methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-
IUPAC Name	N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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
InChI Key	XRIARWQZLGCQDM-KOLCDFICSA-N
MDL Number	MFCD09878608
Molecular Formula	C13H19N5
Molecular Weight	245.3235
SMILES	CN(C=1C2=C(N=CN1)NC=C2)[C@H]2CNCC[C@H]2C
Synonyms	477600-74-1, N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Tofacitinib Impurity 11, Methyl-((3R,4R)-4-methyl-piperidin-3-yl)-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amine, methyl-[(3R,4R)-4-methyl-piperidin-3-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amine, XRIARWQZLGCQDM-KOLCDFICSA-N, Tofacitinib Impurity M, SCHEMBL1120755, CTK4J0252, DTXSID70633602, 7H-Pyrrolo[2,3-d]pyrimidin-4-amine,N-methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-, CS-B0706, ANW-44812, MFCD09878608, MFCD23097212, ZINC35270116, AKOS005258732, AKOS015899957, ACN-027539, AN-3783, CM-1553, CM14194, MB08014, RP28703, AC-24274, AJ-91061, AK-29284, BC653785, CS-13040, SC-24190, AB1006558, AX8033741, ST1261417, TR-017554, X6723, B-1775, 600M741, A827336, J-523688, I14-11341, N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyr, Methyl-((3R,4R)4-methyl-piperidin-3-yl)-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amine, methyl-[(3R,4R)-4-methyl-piperidin-3-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine, N-Methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-am ine, N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7Hpyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3R,4R)-4-methyl piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3R,4R)-4-methyl-3-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, 1206825-36-6, null, C13H19N5, N-methyl-N-( -7H-pyrrolo[2,3-d]pyrimidin-4-amine, 717906-29-1, 908103-37-7,

Complexity	285
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	245.164g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	245.33g/mol
Monoisotopic Mass	245.164g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	56.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number