5-(Ethoxymethyl)-2-methyl-4-pyrimidinamine
Basic information
- CAS
73-66-5- Standard SMILES
CCOCc1cnc(C)nc1N- InChIKey
KEYFHYRXUHGMLW-UHFFFAOYSA-N- Molecular formula
- C8H13N3O
- Average molar mass
- 167.21 g/mol
- Monoisotopic mass
- 167.10586205
Names & identifiers
- Preferred name
- 5-(Ethoxymethyl)-2-methyl-4-pyrimidinamine
- IUPAC
- 5-(ethoxymethyl)-2-methylpyrimidin-4-amine
- English name
- 5-ethoxymethyl-2-methylpyrimidin-4-ylamine
- Molecular formula
- C8H13N3O
- Molecular weight
- 167.21
Names & synonyms
73-66-55-(Ethoxymethyl)-2-methyl-4-pyrimidinamine4-Amino-5-(ethoxymethyl)-2-methylpyrimidine4-Pyrimidinamine, 5-(ethoxymethyl)-2-methyl-Pyrimidine, 4-amino-5-(ethoxymethyl)-2-methyl-2-Methyl-4-amino-5-ethoxymethylpyrimidineEINECS 200-802-2NSC 41790BRN 0139361L4R9O0B5C5NSC-41790UNII-L4R9O0B5C5
Show more names
MFCD00223754Thiamine impurity 614-AMino-5-ethoxyMethyl-2-MethylpyriMidine5-ethoxymethyl-2-methylpyrimidin-4-ylamine2-Methyl-5-(ethoxymethyl)pyrimidine-4-amine
2-Methyl-5-(ethoxymethyl)-6-aminopyrimidineDTXSID202232745-25-13-00059 (Beilstein Handbook Reference)2-METHYL-4-AMINO-5-(ETHOXYMETHYL)PYRIMIDINE4-AMINO-2-METHYL-5-(ETHOXYMETHYL)PYRIMIDINERefChem:101794DTXCID20145765200-802-2
Database identifiers
- CAS
73-66-5- PubChem CID
- 66149
- DTXSID
DTXSID20223274- UNII
- L4R9O0B5C5
- EC Number
- 200-802-2
- Nikkaji
- J70.284F
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Melting point
- 88 · 88-90°C
- Boiling point
- 295.79 °C · 295.79°C (rough estimate)
- Density
- 1.1283 · 1.1283 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform, Methanol
- form
- Solid
- pka
- 5.72 · 5.72±0.10(Predicted)
- color
- Light Yellow to Light Orange
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 R9O0B5C5 · L4R9O0B5C5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesA pyrimidine derivative as G protein-coupled receptor kinase (GRK) inhibitor.
Upstream & downstream products
Downstream products
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Compound notes
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