Basic information
- CAS
1536920-34-9- Standard SMILES
COc1ncc(Cl)c(-n2ccnc2CCN)n1- InChIKey
QTXHCBCMPLFTSV-UHFFFAOYSA-N- Molecular formula
- C10H12ClN5O
- Average molar mass
- 253.69 g/mol
- Monoisotopic mass
- 253.0730377
Names & identifiers
- Preferred name
- 1H-Imidazole-2-ethanamine, 1-(5-chloro-2-methoxy-4-pyrimidinyl)-
- IUPAC
- 2-[1-(5-chloro-2-methoxypyrimidin-4-yl)imidazol-2-yl]ethanamine
Names & synonyms
DTXSID801171050AKOS0193201151H-Imidazole-2-ethanamine, 1-(5-chloro-2-methoxy-4-pyrimidinyl)-2-[1-(5-Chloro-2-methoxypyrimidin-4-yl)-1H-imidazol-2-yl]ethan-1-amine1536920-34-9
Database identifiers
- CAS
1536920-34-9- PubChem CID
- 80752136
- DTXSID
DTXSID801171050
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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