AG004JH1

862729-13-3 | 5-iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

AG004JH1

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CAS Number	862729-13-3
Catalog Number	AG004JH1(AGN-PC-0CWM3V)
Chemical Name	5-iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC Name	5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
InChI	InChI=1S/C7H7IN4/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3,(H2,9,10,11)
InChI Key	VNFSLRASQZPDFQ-UHFFFAOYSA-N
MDL Number	MFCD21603870
Molecular Formula	C7H7IN4
Molecular Weight	274.0617
SMILES	CN1C=C(I)C2=C1N=CN=C2N
Synonyms	5-Iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, 862729-13-3, SCHEMBL1585102, CTK8C2730, DTXSID60731964, VNFSLRASQZPDFQ-UHFFFAOYSA-N, 3489AC, ANW-68925, MFCD21603870, ZINC85221910, FCH2302359, SB14688, AK-55148, DS-14695, AJ-127176, AX8216548, TC-157670, CS-0045873, 5-Iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine, 5-IODO-7-METHYLPYRROLO[2,3-D]PYRIMIDIN-4-AMINE, 7H-Pyrrolo[2,3-d]pyrimidin-4-amine,5-iodo-7-methyl-, C7H7IN4,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.972g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	274.065g/mol
Monoisotopic Mass	273.972g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	56.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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