AG0002PA

1007207-67-1 | 2-Pyrimidinamine, 5-[6,7-dihydro-7-(methylsulfonyl)-2-(4-morpholinyl)-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-

AG0002PA

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CAS Number	1007207-67-1
Catalog Number	AG0002PA(AGN-PC-0WAAT7)
Chemical Name	2-Pyrimidinamine, 5-[6,7-dihydro-7-(methylsulfonyl)-2-(4-morpholinyl)-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-
IUPAC Name	5-(7-methylsulfonyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
InChI	InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)
InChI Key	JEGHXKRHKHPBJD-UHFFFAOYSA-N
MDL Number	MFCD22419020
Molecular Formula	C15H19N7O3S
Molecular Weight	377.4215
SMILES	NC1=NC=C(C2=C3C(N(S(=O)(C)=O)CC3)=NC(N4CCOCC4)=N2)C=N1
UNII	JCL936W835
Synonyms	CH 5132799, CH-5132799, CH5132799, CH5132799, 1007207-67-1, CH-5132799, 5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine, CH 5132799, UNII-JCL936W835, CHEMBL1684984, JCL936W835, 5-(7-Methanesulfonyl-2-Morpholin-4-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine, C15H19N7O3S, (5-(7-Methylsulfonyl-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo(2,3-d)pyrimidin-4-yl)pyrimidin-2-yl)amine, JEGHXKRHKHPBJD-UHFFFAOYSA-N, [5-[7-Methylsulfonyl-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-yl]amine, MLS006010989, GTPL7743, QCR-47, SCHEMBL2377154, DTXSID40678540, EX-A997, MEN1611, SYN1146, HMS3656H15, AOB87718, BCP02894, 2316AH, BDBM50338197, MFCD22419020, PA-799, s2699, ZINC66074200, AKOS025404886, BCP9000513, CS-0981, DB13051, SB20410, NCGC00346650-01, NCGC00346650-06, 4CA-0367, AC-28422, AK174869, AS-16285, BC600308, HY-15466, SMR004702790, BCP0726000261, AB0094922, SW220190-1, Q-4023, J-000203, CH 5132799;CH-5132799;1007207-67-1, 2-Pyrimidinamine, 5-[6,7-dihydro-7-(methylsulfonyl)-2-(4-morpholinyl)-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-, 5-(7-methylsulfonyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine, 5-[7-(Methanesulfonyl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine, 5-[7-(Methylsulfonyl)-2-(4-morpholinyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-pyrimidinamine, 5-[7-(methylsulfonyl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine, 5-[7-methanesulfonyl-2-(morpholin-4-yl)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine, 5-[7-methanesulfonyl-2-(morpholin-4-yl)-5H,6H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine, D03XAQ, cc-614, B2183, CH-5033855, CH-5061565, CH-5089788, CH-5108135, CH-5111436, CH-5138134, A11169,

Complexity	587
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	377.127g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	377.423g/mol
Monoisotopic Mass	377.127g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	136A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

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

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