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1,6-dimethyl-4-N-phenylpyrimidin-1-ium-2,4-diamine (HCID 12093261)|Huagongshe
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Compound
1,6-dimethyl-4-N-phenylpyrimidin-1-ium-2,4-diamine
HCID
12093261
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
Cc1cc(Nc2ccccc2)nc(N)[n+]1C
InChIKey
VSHNJKYQYKTABB-UHFFFAOYSA-O
Molecular formula
C12H15N4+
Average molar mass
215.27 g/mol
Names & identifiers
Preferred name
1,6-dimethyl-4-N-phenylpyrimidin-1-ium-2,4-diamine
IUPAC
1,6-dimethyl-4-N-phenylpyrimidin-1-ium-2,4-diamine
Database identifiers
PubChem CID
12093261
Properties
Computed structural properties
XLogP
2.3
Topological polar surface area
54.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Formal charge
1
Complexity
215
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Related reactions
1 records
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As product
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As solvent
HRID
178490
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Compound notes
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