N-butyl-2,6-dichloropyrimidin-4-amine
Basic information
- CAS
89099-63-8- Standard SMILES
CCCCNc1cc(Cl)nc(Cl)n1- InChIKey
QEZPWFIHTGMCCM-UHFFFAOYSA-N- Molecular formula
- C8H11Cl2N3
- Average molar mass
- 220.1 g/mol
- Monoisotopic mass
- 219.0330028
Names & identifiers
- Preferred name
- N-butyl-2,6-dichloropyrimidin-4-amine
- IUPAC
- N-butyl-2,6-dichloropyrimidin-4-amine
- English name
- N-butyl-2,6-dichloropyriMidin-4-aMine
- Molecular formula
- C8H11Cl2N3
- Molecular weight
- 220.1
Names & synonyms
N-butyl-2,6-dichloropyrimidin-4-amine89099-63-8DTXSID30745311DB-3210114-Pyrimidinamine, N-butyl-2,6-dichloro-
Database identifiers
- CAS
89099-63-8- PubChem CID
- 71304560
- DTXSID
DTXSID30745311
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 346.1 · 346.1±22.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- pka
- -0.65 · -0.65±0.34(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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