5-bromo-N-(2,2-dimethoxyethyl)pyrimidin-2-amine
Basic information
- CAS
885267-37-8- Standard SMILES
COC(CNc1ncc(Br)cn1)OC- InChIKey
PVJJQCGQWHXHNS-UHFFFAOYSA-N- Molecular formula
- C8H12BrN3O2
- Average molar mass
- 262.1 g/mol
- Monoisotopic mass
- 261.01129
Names & identifiers
- Preferred name
- 5-bromo-N-(2,2-dimethoxyethyl)pyrimidin-2-amine
- IUPAC
- 5-bromo-N-(2,2-dimethoxyethyl)pyrimidin-2-amine
- English name
- 5-Bromo-N-(2,2-dimethoxyethyl)pyrimidin-2-amine
- Molecular formula
- C8H12BrN3O2
- Molecular weight
- 262.1
Names & synonyms
5-bromo-N-(2,2-dimethoxyethyl)pyrimidin-2-amine885267-37-8MFCD03646021(5-Bromopyrimidin-2-yl)-(2,2-dimethoxyethyl)amineDTXSID20398678SBB102508AKOS022175202AB15648DS-3048CS-01725315-Bromo-N-(22-dimethoxyethyl)pyrimidin-2-amine(2,2-dimethoxyethyl)(5-bromopyrimidin-2-yl)amine
Show more names
2-Pyrimidinamine, 5-bromo-N-(2,2-dimethoxyethyl)-5-Bromo-N-(2,2-dimethoxyethyl)pyrimidin-2-amine, CAS 885267-37-8
F048748SR-01000384009SR-01000384009-1Z1269190597
Database identifiers
- CAS
885267-37-8- PubChem CID
- 4036586
- DTXSID
DTXSID20398678
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- storage temp.
- 2 · 2-8°C(protect from light)
- InChI
- InChI=1S/C8H12BrN3O2/c1-13-7(14-2)5-12-8-10-3-6(9)4-11-8/h3-4,7H,5H2,1-2H3,(H,10,11,12)
- InChIKey
- PVJJQCGQWHXHNS-UHFFFAOYSA-N
- SMILES
- C1(NCC(OC)OC)=NC=C(Br)C=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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