Basic information
- CAS
12240-04-9- Standard SMILES
Cc1ncc(C)c(N)n1- InChIKey
UXKNAXNFIYFMIB-UHFFFAOYSA-N- Molecular formula
- C6H9N3
- Average molar mass
- 123.16 g/mol
- Monoisotopic mass
- 123.0796473
Names & identifiers
- Preferred name
- 2,5-Dimethylpyrimidin-4-Amine
- IUPAC
- 2,5-dimethylpyrimidin-4-amine
- English name
- 4-Pyrimidinamine, 2,5-dimethyl- (9CI)
- Molecular formula
- C6H9N3
- Molecular weight
- 123.16
Names & synonyms
2,5-DIMETHYLPYRIMIDIN-4-AMINE73-70-1J1SE9T8ANX2,5-DIMETHYL-4-PYRIMIDINAMINE4-PYRIMIDINAMINE, 2,5-DIMETHYL-DTXSID90332201RefChem:444608DTXCID00283295891-712-82,5-DIMETHYL-PYRIMIDIN-4-YLAMINEMFCD099098094-Pyrimidinamine, 2,5-dimethyl- (9CI)
Show more names
[1,3]Thiazolo[5,4-C]Pyridinre4-Amino-2,5-dimethylpyrimidine2,5-Dimethyl-4-pyrimidineamine2,5-Dimethylpyrimidin-4-ylamine
CHEMBL123553312240-04-92,?5-?Dimethyl-4-pyrimidinaminePYD2,5-dimethyl-4-aminopyrimidine2, 5- Dimethyl-4-pyrimidinamineICPAmanil Fast Violet 4BL
Database identifiers
- CAS
12240-04-9、73-70-1- PubChem CID
- 445779
- DTXSID
DTXSID90332201- ChEMBL
CHEMBL1235533- UNII
- J1SE9T8ANX
- EC Number
- 602-778-2、891-712-8
- Nikkaji
- J79.425B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.3
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Appearance
- White to off-white Solid
- FDA UNII
- 1 SE9T8ANX · J1SE9T8ANX
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2,5-Dimethyl-4-pyrimidinamine is used in the synthesis of hydroxypyrimidine complexes with palladium in the preparation of heteroaromati compounds.
Related reactions
2 records
Compound notes
Loading…