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173458-57-6 | 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-(3-bromophenyl)-5,6-dimethyl-
CAS No: 173458-57-6 Catalog No: AG001YXF MDL No:
Product Description
Catalog Number:
AG001YXF
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-(3-bromophenyl)-5,6-dimethyl-
CAS Number:
173458-57-6
Molecular Formula:
C14H13BrN4
Molecular Weight:
317.1838
IUPAC Name:
N-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C14H13BrN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19)
InChI Key:
FCNOOCZWZIUGIT-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)Nc1ncnc2c1c(C)c([nH]2)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.19g/mol
Monoisotopic Mass:
316.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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