AG00131S

137281-08-4 | Propanamide, N-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-

AG00131S

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CAS Number	137281-08-4
Catalog Number	AG00131S(AGN-PC-0PLBIY)
Chemical Name	Propanamide, N-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-
IUPAC Name	2,2-dimethyl-N-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)propanamide
InChI	InChI=1S/C11H14N4O2/c1-11(2,3)9(17)15-10-13-7-6(4-5-12-7)8(16)14-10/h4-5H,1-3H3,(H3,12,13,14,15,16,17)
InChI Key	LEGZZSRPJRCXSF-UHFFFAOYSA-N
MDL Number	MFCD23135251
Molecular Formula	C11H14N4O2
Molecular Weight	234.2545
SMILES	CC(C)(C)C(=O)NC1=NC2=C(C=CN2)C(=O)N1
Synonyms	137281-08-4, N-(4-Oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-yl)pivalamide, N-(4-Oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-2-yl)pivalamide, AK-25017, LEGZZSRPJRCXSF-UHFFFAOYSA-N, SCHEMBL311846, CTK8B6883, CTK8G8818, KS-00000PQA, DTXSID20435350, ANW-54746, MFCD11109810, ZINC33359328, AKOS015911565, AKOS015918875, AJ-85919, DA-45578, DS-10573, AX8226097, 4CH-011438, FT-0704014, 2-Pivaloylamino-4-hydroxy-pyrrolo[2,3-d]pyrimidine, S14-0422, I14-37729, N-(4-hydroxy-1H-pyrrolo[2,3-d]pyrimidin-2-yl)pivalamide, 2-(2,2-dimethylpropionyl)amino-4-hydroxypyrrolo[2,3-d]pyrimidine, 2-(Pivaloylamino)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 2,2-dimethyl-N-(4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)propanamide, 2,2-Dimethyl-N-(4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-yl)propanamide, 2,2-Dimethyl-N-(4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-2-yl)-propionamide, N-(4,7-Dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide, Propanamide, N-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-, PROPANAMIDE,N-(4,7-DIHYDRO-4-OXO-3H-PYRROLO[2,3-D]PYRIMIDIN-2-YL)-2,2-DIMETHYL-, Propanamide,N- -2,2-dimethyl-, CID10082759, 2,2-dimethyl-N-(5-oxo-2,4,9-triazabicyclo[4.3.0]nona-3,7,10-trien-3-yl)propanamide,

Complexity	383
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.112g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	234.259g/mol
Monoisotopic Mass	234.112g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	86.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number