4-Chloro-6-ethyl-5-methylpyrimidin-2-amine
Basic information
- CAS
162272-58-4- Standard SMILES
CCc1nc(N)nc(Cl)c1C- InChIKey
CNAUOLOEXNQHFL-UHFFFAOYSA-N- Molecular formula
- C7H10ClN3
- Average molar mass
- 171.63 g/mol
- Monoisotopic mass
- 171.056325
Names & identifiers
- Preferred name
- 4-Chloro-6-ethyl-5-methylpyrimidin-2-amine
- IUPAC
- 4-chloro-6-ethyl-5-methylpyrimidin-2-amine
- English name
- 4-chloro-6-ethyl-5-MethylpyriMidin-2-aMine
- Molecular formula
- C7H10ClN3
- Molecular weight
- 171.63
Names & synonyms
4-chloro-6-ethyl-5-methylpyrimidin-2-amine162272-58-4MFCD018462904-chloro-6-ethyl-5-methylpyrimidin-2-ylamineSCHEMBL19242058DTXSID80356178SBB088555AKOS004906161SB55783DB-332224CS-02132714-chloro-6-ethyl-5-methyl-pyrimidin-2-amine
Show more names
2-Pyrimidinamine, 4-chloro-6-ethyl-5-methyl-6-chloro-4-ethyl-5-methylpyrimidine-2-ylamineAO-262/25094005
Database identifiers
- CAS
162272-58-4- PubChem CID
- 820236
- DTXSID
DTXSID80356178
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 334.4 · 334.4±34.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.66 · 4.66±0.10(Predicted)
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Compound notes
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