Basic information
- CAS
17759-30-7- Standard SMILES
CNc1nc(SC)ncc1CO- InChIKey
NXNGLEYSIAXGCL-UHFFFAOYSA-N- Molecular formula
- C7H11N3OS
- Average molar mass
- 185.25 g/mol
- Monoisotopic mass
- 185.06228297
Names & identifiers
- Preferred name
- (4-(Methylamino)-2-(methylthio)pyrimidin-5-yl)methanol
- IUPAC
- [4-(methylamino)-2-methylsulfanylpyrimidin-5-yl]methanol
- English name
- 4-(Methylamino)-2-(methylthio)pyrimidine-5-methanol
- Molecular formula
- C7H11N3OS
- Molecular weight
- 185.25
Names & synonyms
17759-30-7(4-(Methylamino)-2-(methylthio)pyrimidin-5-yl)methanolDTXSID90443366RefChem:208514DTXCID903941874-(METHYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-METHANOLMFCD16293863[4-(methylamino)-2-methylsulfanylpyrimidin-5-yl]methanol[4-(methylamino)-2-(methylsulfanyl)pyrimidin-5-yl]methanol4-(Methylamino)-2-(methylthio)-5-pyrimidinemethanol; (4-(Methylamino)-2-(methylthioNXNGLEYSIAXGCL-UHFFFAOYSA-N4-methylamino-2-methylsulfanyl-5-pyrimidinemethanol
Show more names
(4-MethylaMino-2-MethanethiopyriMidin-5-yl)Methanol4-(MethylaMino)-2-(Methylthio)-5-pyriMidineMethanol5-Pyrimidinemethanol, 4-(methylamino)-2-(methylthio)-(4-MethylaMino-2-MethylsulfanylpyriMidin-5-yl)Methanol(4-(MethylaMino)-2-(Methylthio )pyriMidin-5-yl)Methanol(4-MethylaMino-2-Methanesulfanyl-pyriMidin-5-yl)-Methanol
SCHEMBL1521589TQP0620AKOS016001943DS-2253EBC-469050SB57623DA-22163PD129741
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 155 · 155-157 °C
- Boiling point
- 398.9 · 398.9±32.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform, Dichloromethane, DMSO, Methanol
- form
- Solid
- pka
- 13.16 · 13.16±0.10(Predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesAn intermediate in the preparation of antitumor agents and tyrosine kinase inhibitors
Upstream & downstream products
Upstream raw materials
Suppliers40 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
重庆科脉材料科技有限公司17830741407 · [email protected]
常州市宣明医药科技有限公司+86-519-85525359 +86-15995072465 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
Related reactions
23 records
Compound notes
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