Basic information
- CAS
4994-89-2- Standard SMILES
Cc1sc2ncnc(N)c2c1C- InChIKey
DJXOGZDFPCBFPP-UHFFFAOYSA-N- Molecular formula
- C8H9N3S
- Average molar mass
- 179.24 g/mol
- Monoisotopic mass
- 179.05171847
Names & identifiers
- Preferred name
- 5,6-Dimethylthieno(2,3-d)pyrimidin-4-amine
- IUPAC
- 5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
- English name
- 5,6-DIMETHYL-THIENO[2,3-D]PYRIMIDIN-4-YLAMINE
- Molecular formula
- C8H9N3S
- Molecular weight
- 179.24
Names & synonyms
5,6-Dimethylthieno[2,3-d]pyrimidin-4-amine4994-89-2B117HKI8P05,6-Dimethylthieno(2,3-d)pyrimidin-4-amineUNII-B117HKI8P0NSC 153322NSC-153322DTXSID00198158THIENO(2,3-D)PYRIMIDIN-4-AMINE, 5,6-DIMETHYL-THIENO(2,3-D)PYRIMIDINE, 4-AMINO-5,6-DIMETHYL-Thieno[2,3-d]pyrimidin-4-amine, 5,6-dimethyl-RefChem:101211
Show more names
TLC0777-03065,6-dimethylthieno[2,3-d]pyrimidin-4-amine(SALTDATA: FREE)
DTXCID30120649823-808-25,6-Dimethyl-thieno[2,3-d]pyrimidin-4-ylamineMFCD00464490NSC153322MLS0007794945,6-Dimethylthieno[2,3-d]pyrimidin-4-ylamineSMR000419695
Database identifiers
- CAS
4994-89-2- PubChem CID
- 290232
- DTXSID
DTXSID00198158- ChEMBL
CHEMBL1488435- UNII
- B117HKI8P0
- EC Number
- 823-808-2
- Nikkaji
- J1.164.199G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Experimental & physicochemical properties
Solubility>26.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 175 · 175-177 °C(Solv: ethanol (64-17-5))
- Boiling point
- 371.9 · 371.9±37.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- 5.69 · 5.69±0.40(Predicted)
- FDA UNII
- 117 HKI8P0 · B117HKI8P0
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers6 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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