1-benzyl-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine - CAS 1638759-97-3
Catalog: |
BB012046 |
Product Name: |
1-benzyl-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
CAS: |
1638759-97-3 |
Synonyms: |
3-iodo-1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine; 1-benzyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine |
IUPAC Name: | 1-benzyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine |
Description: | 1-benzyl-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS# 1638759-97-3 ) is a useful research chemical. |
Molecular Weight: | 351.151 |
Molecular Formula: | C12H10IN5 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)C(=N2)I |
InChI: | InChI=1S/C12H10IN5/c13-10-9-11(14)15-7-16-12(9)18(17-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,15,16) |
InChI Key: | RSCWXLYIGRGGGA-UHFFFAOYSA-N |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 350.99809 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 350.99809 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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