2-(Methylthio)pyrimidine-4,5,6-triamine - CAS 1431-40-9
Catalog: |
BB009497 |
Product Name: |
2-(Methylthio)pyrimidine-4,5,6-triamine |
CAS: |
1431-40-9 |
Synonyms: |
2-(methylthio)pyrimidine-4,5,6-triamine; 2-methylsulfanylpyrimidine-4,5,6-triamine |
IUPAC Name: | 2-methylsulfanylpyrimidine-4,5,6-triamine |
Description: | 2-(Methylthio)pyrimidine-4,5,6-triamine (CAS# 1431-40-9 ) is a useful research chemical. |
Molecular Weight: | 171.22 |
Molecular Formula: | C5H9N5S |
Canonical SMILES: | CSC1=NC(=C(C(=N1)N)N)N |
InChI: | InChI=1S/C5H9N5S/c1-11-5-9-3(7)2(6)4(8)10-5/h6H2,1H3,(H4,7,8,9,10) |
InChI Key: | CTHYWCCCVXWRCA-UHFFFAOYSA-N |
Boiling Point: | 451.3 °C at 760 mmHg |
Density: | 1.47 g/cm3 |
Appearance: | Solid |
LogP: | 1.68870 |
Publication Number | Title | Priority Date |
EP-1673092-A1 | Heterocycle-substituted pteridine derivatives and their use in therapy | 20031017 |
EP-1673092-B1 | Heterocycle-substituted pteridine derivatives and their use in therapy | 20031017 |
ES-2293354-T3 | PTERIDINE DERIVATIVES REPLACED BY HETEROCICLES AND ITS USE IN THERAPY. | 20031017 |
US-2007032477-A1 | Pteridine derivatives useful for making pharmaceutical compositions | 20031017 |
WO-2005039587-A1 | Heterocycle-substituted pteridine derivatives and their use in therapy | 20031017 |
PMID | Publication Date | Title | Journal |
16518051 | 20060301 | 4,5,6-Triamino-2-(methylsulfanyl)pyrimidine: pi-stacked hydrogen-bonded sheets of R2/2(8), R2/2(10) and R6/6(32) rings | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.05786648 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.05786648 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 129 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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