3-Isobutyl-7-chloro-pyrazolo[4,3-d]pyrimidine - CAS 1346605-36-4
Catalog: |
BB063875 |
Product Name: |
3-Isobutyl-7-chloro-pyrazolo[4,3-d]pyrimidine |
CAS: |
1346605-36-4 |
Synonyms: |
3-Isobutyl-7-chloro-1H-pyrazolo[4,3-d]pyrimidine |
IUPAC Name: | 7-chloro-3-(2-methylpropyl)-2H-pyrazolo[4,3-d]pyrimidine |
Description: | Used in the preparation of Sildenafil Citrate (S435000) impurity. |
Molecular Weight: | 210.66 |
Molecular Formula: | C9H11ClN4 |
Canonical SMILES: | CC(C)CC1=C2C(=NN1)C(=NC=N2)Cl |
InChI: | InChI=1S/C9H11ClN4/c1-5(2)3-6-7-8(14-13-6)9(10)12-4-11-7/h4-5H,3H2,1-2H3,(H,13,14) |
InChI Key: | LIDTUXAZDFRDOC-UHFFFAOYSA-N |
Solubility: | Chloroform, Ether, Methanol |
Appearance: | Off-white Solid |
Storage: | -20°C Freezer |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.0672241 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0672241 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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