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862729-13-3 | 5-Iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CAS No: 862729-13-3 Catalog No: AG004JH1 MDL No:MFCD21603870
Product Description
Catalog Number:
AG004JH1
Chemical Name:
5-Iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CAS Number:
862729-13-3
Molecular Formula:
C7H7IN4
Molecular Weight:
274.0618
MDL Number:
MFCD21603870
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
SMILES:
Cn1cc(c2c1ncnc2N)I
Properties
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
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