N-Benzyl-6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4(3H)-imine
Basic information
- CAS
85826-41-1- Standard SMILES
Cc1nc(Cl)c(CC(Br)CBr)c(NCc2ccccc2)n1- InChIKey
BYDDQTQOWUEJJU-UHFFFAOYSA-N- Molecular formula
- C15H16Br2ClN3
- Average molar mass
- 433.57 g/mol
- Monoisotopic mass
- 430.93995
Names & identifiers
- Preferred name
- N-Benzyl-6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4(3H)-imine
- IUPAC
- N-benzyl-6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine
Names & synonyms
85826-41-1DTXSID401006407N-Benzyl-6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4(3H)-imineRefChem:1091599DTXCID101433277BRN 50974216-Chloro-5-(2,3-dibromopropyl)-2-methyl-N-(phenylmethyl)-4-pyrimidinamine4-Pyrimidinamine, 6-chloro-5-(2,3-dibromopropyl)-2-methyl-N-(phenylmethyl)-N-benzyl-6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amineSTK030208AKOS005381155
Database identifiers
- CAS
85826-41-1- PubChem CID
- 3070106
- DTXSID
DTXSID401006407
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 303
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Compound notes
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