AG001LZK

149765-16-2 | Propanamide, N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-

AG001LZK

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CAS Number	149765-16-2
Catalog Number	AG001LZK(AGN-PC-00PEMP)
Chemical Name	Propanamide, N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-
IUPAC Name	N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
InChI	InChI=1S/C11H12ClIN4O/c1-11(2,3)9(18)17-10-15-7(12)6-5(13)4-14-8(6)16-10/h4H,1-3H3,(H2,14,15,16,17,18)
InChI Key	KZDHRXDFCHHFEJ-UHFFFAOYSA-N
MDL Number	MFCD11109808
Molecular Formula	C11H12ClIN4O
Molecular Weight	378.5966
SMILES	ClC1=NC(=NC2=C1C(=C[NH]2)I)NC(C(C)(C)C)=O
Synonyms	149765-16-2, N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pivalamide, N-(4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropionamide, AK-25015, N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide, W-205695, N-{4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl}-2,2-dimethylpropanamide, KZDHRXDFCHHFEJ-UHFFFAOYSA-N, C11H12ClIN4O, SCHEMBL312171, EOS272, CTK8B5833, DTXSID40573208, BCP10652, ANW-50340, MFCD11109808, ZINC34569756, AKOS015850395, ACN-030488, RP07088, AJ-89407, BR-25015, DS-10572, AB0033626, AX8159662, ST2413550, TR-006083, 4CH-008402, FT-0649099, X7292, S-6765, I14-37727, 4-Chloro-5-iodo-2-trimethylacetamido-pyrrolo[2,3-d]pyrimidine, N-(4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine-2-yl)pivalamide, N-(4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyriMidin-2-yl)-2,2-diMethyl propanaMide, N-(4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-propanamide, N-(4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-propionamide, Propanamide, N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-, Propanamide,

Complexity	336
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	377.974g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	378.598g/mol
Monoisotopic Mass	377.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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

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