4,6-Dichloro-2-ethylpyrimidin-5-amine
Basic information
- CAS
6237-96-3- Standard SMILES
CCc1nc(Cl)c(N)c(Cl)n1- InChIKey
IQHHPQSMYVIVOB-UHFFFAOYSA-N- Molecular formula
- C6H7Cl2N3
- Average molar mass
- 192.04 g/mol
- Monoisotopic mass
- 191.0017026
Names & identifiers
- Preferred name
- 4,6-Dichloro-2-ethylpyrimidin-5-amine
- IUPAC
- 4,6-dichloro-2-ethylpyrimidin-5-amine
- English name
- 4,6-Dichloro-2-ethyl-5-pyrimidinamine
- Molecular formula
- C6H7Cl2N3
- Molecular weight
- 192.05
Names & synonyms
4,6-dichloro-2-ethylpyrimidin-5-amine6237-96-34,6-DICHLORO-2-ETHYL-5-PYRIMIDINAMINEMFCD11219203Pyrimidine, 5-amino-4,6-dichloro-2-ethyl-SCHEMBL5234964DTXSID00334832IQHHPQSMYVIVOB-UHFFFAOYSA-N46-Dichloro-2-ethylpyrimidin-5-amineAKOS006307210SB574824,6-dichloro-2-ethyl-pyrimidin-5-amine
Show more names
5-Pyrimidinamine, 4,6-dichloro-2-ethyl-
5-Amino-4,6-dichloro-2-ethylpyrimidineDS-165234,6-dichloro-2-ethyl-pyrimidin-5-ylamineDB-023334CS-0006537EN300-6409083F220344
Database identifiers
- CAS
6237-96-3- PubChem CID
- 522047
- DTXSID
DTXSID00334832
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 121
Physicochemical properties
- Boiling point
- 271 ℃ · 271℃
- Density
- 1.423 · 1.423
- Flash point
- 117 ℃ · 117℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- HS Code
- 2933599590 · 2933599590
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
- hs_code
- 2933599590
Related reactions
2 records
Compound notes
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