4-Amino-2-(methylmercapto)-7H-pyrazole[2,3-d]pyrimidine - CAS 5444-29-1
Catalog: |
BB028662 |
Product Name: |
4-Amino-2-(methylmercapto)-7H-pyrazole[2,3-d]pyrimidine |
CAS: |
5444-29-1 |
Synonyms: |
6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
IUPAC Name: | 6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Description: | 4-Amino-2-(methylmercapto)-7H-pyrazole[2,3-d]pyrimidine (CAS# 5444-29-1 ) is a useful research chemical. |
Molecular Weight: | 181.22 |
Molecular Formula: | C6H7N5S |
Canonical SMILES: | CSC1=NC2=C(C=NN2)C(=N1)N |
InChI: | InChI=1S/C6H7N5S/c1-12-6-9-4(7)3-2-8-11-5(3)10-6/h2H,1H3,(H3,7,8,9,10,11) |
InChI Key: | CIXWMFJLFKGOND-UHFFFAOYSA-N |
Boiling Point: | 526.6 °C at 760 mmHg |
Density: | 1.55 g/cm3 |
LogP: | 1.23820 |
Publication Number | Title | Priority Date |
US-2012022048-A1 | Anti-proliferative substituted pyrazolo[3,4-d]pyrimidines derivatives (SPP) to inhibit immune activation, virus replication and tumor growth | 20100722 |
WO-2011014239-A1 | Anti-proliferative substituted pyrazolo[3,4-d]pyrimidines derivatives (spp) to inhibit immune activation, virus replication and tumor growth | 20090727 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.04221642 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.04221642 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 106 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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