4,6-Dichloro-2-(propylthio)pyrimidin-5-amine - CAS 145783-15-9
Catalog: |
BB010004 |
Product Name: |
4,6-Dichloro-2-(propylthio)pyrimidin-5-amine |
CAS: |
145783-15-9 |
Synonyms: |
4,6-dichloro-2-(propylthio)pyrimidin-5-amine |
IUPAC Name: | 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine |
Description: | An impurity of Ticagrelor which is a reversible P2Y12 receptor antagonist and is unique in its greater and more rapid and consistent, yet reversible, inhibition of the ADP receptor. |
Molecular Weight: | 238.14 |
Molecular Formula: | C7H9Cl2N3S |
Canonical SMILES: | CCCSC1=NC(=C(C(=N1)Cl)N)Cl |
InChI: | InChI=1S/C7H9Cl2N3S/c1-2-3-13-7-11-5(8)4(10)6(9)12-7/h2-3,10H2,1H3 |
InChI Key: | CJJLJBFJNXMANZ-UHFFFAOYSA-N |
Boiling Point: | 334.1±37.0 °C |
Purity: | 95 % |
Density: | 1.44 g/cm3 |
Solubility: | Soluble in DMSO, Methanol |
Appearance: | Yellow to yellowish brown oily matter or solid |
Storage: | Store at -20 °C |
MDL: | MFCD16875503 |
LogP: | 3.44890 |
GHS Hazard Statement: | H315 (33.33%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113173888-A | Ticagrelor impurity A and preparation method thereof | 20210428 |
CN-113185520-A | Ticagrelor impurity B and preparation method thereof | 20210428 |
CN-112226420-A | Nitroreductase mutant and application thereof | 20200929 |
CN-111205232-A | Synthesis method of ticagrelor intermediate | 20200226 |
CN-113061115-A | Preparation method of ticagrelor intermediate | 20200101 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.9894239 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.9894239 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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